USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Set 1.2: A 89 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Set 2.1: A 42 MET CE :methyl 160:sc= -0.877 (180deg=-1.24) USER MOD Set 2.2: A 78 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 36 SER OG : rot -162:sc= -0.169 USER MOD Set 3.2: A 38 GLN : amide:sc= 0.99 K(o=0.82,f=-6.6!) USER MOD Set 4.1: A 23 HIS : no HE2:sc= 1.06 K(o=3.3,f=-7.8!) USER MOD Set 4.2: A 52 GLN : amide:sc= 2.22 K(o=3.3,f=-0.15) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.31 (180deg=-0.531!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 3 THR OG1 : rot -121:sc= 1.26 USER MOD Single : A 4 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-5.7!) USER MOD Single : A 10 GLN : amide:sc= -3.43! C(o=-3.4!,f=-6.4!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 21 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 26 ASN : amide:sc= -1.8! K(o=-1.8!,f=-1.1) USER MOD Single : A 30 GLN : amide:sc= -1.89! K(o=-1.9!,f=-1.2) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 1.2 K(o=1.2,f=-1.5) USER MOD Single : A 35 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.33!) USER MOD Single : A 37 THR OG1 : rot -42:sc= 0.646 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 45 MET CE :methyl 170:sc= -0.605 (180deg=-0.994) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -1.2 K(o=-1.2,f=0.16) USER MOD Single : A 65 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.043) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0165) USER MOD Single : A 67 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.1) USER MOD Single : A 79 TYR OH : rot 21:sc= 0.782 USER MOD Single : A 81 MET CE :methyl -146:sc= -0.683 (180deg=-1.65) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.04) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc=-0.00496 X(o=-0.005,f=-0.012) USER MOD Single : A 116 HIS : no HD1:sc=-0.00367 X(o=-0.0037,f=-0.13) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.873 -4.359 5.899 1.00 0.00 N ATOM 2 CA MET A 1 -17.166 -3.369 4.835 1.00 0.00 C ATOM 3 C MET A 1 -16.540 -2.016 5.155 1.00 0.00 C ATOM 4 O MET A 1 -15.937 -1.385 4.287 1.00 0.00 O ATOM 5 CB MET A 1 -18.679 -3.199 4.655 1.00 0.00 C ATOM 6 CG MET A 1 -19.394 -4.465 4.217 1.00 0.00 C ATOM 7 SD MET A 1 -21.146 -4.195 3.884 1.00 0.00 S ATOM 8 CE MET A 1 -21.667 -5.856 3.463 1.00 0.00 C ATOM 0 H1 MET A 1 -16.968 -5.321 5.514 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.903 -4.219 6.246 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.543 -4.233 6.685 1.00 0.00 H new ATOM 0 HA MET A 1 -16.733 -3.747 3.909 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.110 -2.857 5.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.861 -2.417 3.918 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.914 -4.857 3.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.288 -5.224 4.992 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.732 -5.855 3.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.106 -6.204 2.596 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.480 -6.521 4.306 1.00 0.00 H new ATOM 20 N THR A 2 -16.676 -1.589 6.406 1.00 0.00 N ATOM 21 CA THR A 2 -16.229 -0.271 6.845 1.00 0.00 C ATOM 22 C THR A 2 -14.751 -0.029 6.527 1.00 0.00 C ATOM 23 O THR A 2 -14.368 1.057 6.086 1.00 0.00 O ATOM 24 CB THR A 2 -16.450 -0.113 8.361 1.00 0.00 C ATOM 25 OG1 THR A 2 -17.711 -0.694 8.729 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.425 1.354 8.763 1.00 0.00 C ATOM 0 H THR A 2 -17.100 -2.148 7.146 1.00 0.00 H new ATOM 0 HA THR A 2 -16.820 0.465 6.300 1.00 0.00 H new ATOM 0 HB THR A 2 -15.643 -0.627 8.883 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.848 -0.594 9.694 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.583 1.439 9.838 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.459 1.786 8.503 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.215 1.889 8.236 1.00 0.00 H new ATOM 34 N THR A 3 -13.932 -1.051 6.736 1.00 0.00 N ATOM 35 CA THR A 3 -12.495 -0.943 6.535 1.00 0.00 C ATOM 36 C THR A 3 -12.136 -0.561 5.096 1.00 0.00 C ATOM 37 O THR A 3 -11.140 0.122 4.874 1.00 0.00 O ATOM 38 CB THR A 3 -11.790 -2.258 6.913 1.00 0.00 C ATOM 39 OG1 THR A 3 -12.107 -2.594 8.268 1.00 0.00 O ATOM 40 CG2 THR A 3 -10.281 -2.137 6.761 1.00 0.00 C ATOM 0 H THR A 3 -14.243 -1.971 7.047 1.00 0.00 H new ATOM 0 HA THR A 3 -12.148 -0.144 7.189 1.00 0.00 H new ATOM 0 HB THR A 3 -12.140 -3.041 6.240 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.282 -2.647 8.794 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.811 -3.081 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.038 -1.898 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.912 -1.345 7.413 1.00 0.00 H new ATOM 48 N HIS A 4 -12.964 -0.967 4.130 1.00 0.00 N ATOM 49 CA HIS A 4 -12.670 -0.723 2.712 1.00 0.00 C ATOM 50 C HIS A 4 -12.437 0.759 2.443 1.00 0.00 C ATOM 51 O HIS A 4 -11.500 1.133 1.737 1.00 0.00 O ATOM 52 CB HIS A 4 -13.804 -1.212 1.809 1.00 0.00 C ATOM 53 CG HIS A 4 -14.072 -2.680 1.889 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.342 -3.202 1.954 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.231 -3.736 1.911 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.271 -4.514 2.017 1.00 0.00 C ATOM 57 NE2 HIS A 4 -14.002 -4.867 1.992 1.00 0.00 N ATOM 0 H HIS A 4 -13.839 -1.463 4.300 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.763 -1.283 2.483 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.716 -0.675 2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.566 -0.955 0.777 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.152 -3.697 1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.112 -5.189 2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.651 -5.824 2.027 1.00 0.00 H new ATOM 66 N ASP A 5 -13.284 1.595 3.028 1.00 0.00 N ATOM 67 CA ASP A 5 -13.201 3.033 2.822 1.00 0.00 C ATOM 68 C ASP A 5 -11.935 3.588 3.464 1.00 0.00 C ATOM 69 O ASP A 5 -11.306 4.504 2.937 1.00 0.00 O ATOM 70 CB ASP A 5 -14.433 3.718 3.410 1.00 0.00 C ATOM 71 CG ASP A 5 -14.623 5.118 2.870 1.00 0.00 C ATOM 72 OD1 ASP A 5 -15.009 5.248 1.689 1.00 0.00 O ATOM 73 OD2 ASP A 5 -14.410 6.089 3.621 1.00 0.00 O ATOM 0 H ASP A 5 -14.037 1.301 3.650 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.164 3.232 1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.318 3.122 3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.340 3.759 4.495 1.00 0.00 H new ATOM 78 N ARG A 6 -11.550 2.999 4.588 1.00 0.00 N ATOM 79 CA ARG A 6 -10.358 3.428 5.308 1.00 0.00 C ATOM 80 C ARG A 6 -9.101 2.985 4.565 1.00 0.00 C ATOM 81 O ARG A 6 -8.102 3.702 4.540 1.00 0.00 O ATOM 82 CB ARG A 6 -10.360 2.874 6.736 1.00 0.00 C ATOM 83 CG ARG A 6 -11.609 3.244 7.523 1.00 0.00 C ATOM 84 CD ARG A 6 -11.479 2.905 9.000 1.00 0.00 C ATOM 85 NE ARG A 6 -11.292 1.474 9.243 1.00 0.00 N ATOM 86 CZ ARG A 6 -11.707 0.854 10.349 1.00 0.00 C ATOM 87 NH1 ARG A 6 -12.395 1.519 11.268 1.00 0.00 N ATOM 88 NH2 ARG A 6 -11.453 -0.432 10.535 1.00 0.00 N ATOM 0 H ARG A 6 -12.047 2.221 5.022 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.363 4.517 5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.272 1.788 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.482 3.247 7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.803 4.311 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.468 2.719 7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.635 3.453 9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.372 3.244 9.525 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.819 0.921 8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.608 2.507 11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.711 1.042 12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.936 -0.957 9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.774 -0.898 11.384 1.00 0.00 H new ATOM 102 N VAL A 7 -9.163 1.806 3.951 1.00 0.00 N ATOM 103 CA VAL A 7 -8.065 1.306 3.128 1.00 0.00 C ATOM 104 C VAL A 7 -7.824 2.244 1.951 1.00 0.00 C ATOM 105 O VAL A 7 -6.683 2.532 1.590 1.00 0.00 O ATOM 106 CB VAL A 7 -8.355 -0.117 2.592 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.259 -0.584 1.644 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.511 -1.101 3.740 1.00 0.00 C ATOM 0 H VAL A 7 -9.964 1.178 4.008 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.177 1.262 3.759 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.291 -0.076 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.491 -1.586 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.195 0.099 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.305 -0.600 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.714 -2.095 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.592 -1.126 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.339 -0.789 4.377 1.00 0.00 H new ATOM 118 N ARG A 8 -8.915 2.736 1.373 1.00 0.00 N ATOM 119 CA ARG A 8 -8.835 3.656 0.248 1.00 0.00 C ATOM 120 C ARG A 8 -8.100 4.925 0.659 1.00 0.00 C ATOM 121 O ARG A 8 -7.250 5.431 -0.074 1.00 0.00 O ATOM 122 CB ARG A 8 -10.231 4.024 -0.251 1.00 0.00 C ATOM 123 CG ARG A 8 -10.237 4.557 -1.672 1.00 0.00 C ATOM 124 CD ARG A 8 -11.458 5.414 -1.944 1.00 0.00 C ATOM 125 NE ARG A 8 -11.280 6.784 -1.455 1.00 0.00 N ATOM 126 CZ ARG A 8 -12.279 7.637 -1.237 1.00 0.00 C ATOM 127 NH1 ARG A 8 -13.538 7.223 -1.320 1.00 0.00 N ATOM 128 NH2 ARG A 8 -12.019 8.899 -0.905 1.00 0.00 N ATOM 0 H ARG A 8 -9.866 2.512 1.667 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.290 3.160 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.873 3.144 -0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.661 4.774 0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.335 5.144 -1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.214 3.723 -2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.657 5.433 -3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.330 4.967 -1.466 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.330 7.105 -1.270 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.741 6.250 -1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.302 7.878 -1.153 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.053 9.215 -0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.786 9.551 -0.738 1.00 0.00 H new ATOM 142 N LEU A 9 -8.439 5.429 1.841 1.00 0.00 N ATOM 143 CA LEU A 9 -7.817 6.633 2.369 1.00 0.00 C ATOM 144 C LEU A 9 -6.343 6.388 2.668 1.00 0.00 C ATOM 145 O LEU A 9 -5.502 7.254 2.435 1.00 0.00 O ATOM 146 CB LEU A 9 -8.538 7.098 3.638 1.00 0.00 C ATOM 147 CG LEU A 9 -10.037 7.370 3.476 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.634 7.837 4.793 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.285 8.400 2.384 1.00 0.00 C ATOM 0 H LEU A 9 -9.145 5.018 2.452 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.896 7.415 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.404 6.341 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.057 8.008 3.997 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.524 6.440 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.699 8.026 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.492 7.066 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.139 8.754 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.356 8.577 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.785 9.333 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.892 8.029 1.438 1.00 0.00 H new ATOM 161 N GLN A 10 -6.039 5.197 3.175 1.00 0.00 N ATOM 162 CA GLN A 10 -4.665 4.822 3.489 1.00 0.00 C ATOM 163 C GLN A 10 -3.813 4.865 2.222 1.00 0.00 C ATOM 164 O GLN A 10 -2.712 5.414 2.226 1.00 0.00 O ATOM 165 CB GLN A 10 -4.632 3.426 4.128 1.00 0.00 C ATOM 166 CG GLN A 10 -3.316 3.080 4.818 1.00 0.00 C ATOM 167 CD GLN A 10 -2.202 2.726 3.852 1.00 0.00 C ATOM 168 OE1 GLN A 10 -2.441 2.181 2.776 1.00 0.00 O ATOM 169 NE2 GLN A 10 -0.978 3.045 4.223 1.00 0.00 N ATOM 0 H GLN A 10 -6.729 4.473 3.378 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.252 5.532 4.205 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.440 3.354 4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.830 2.682 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.001 3.926 5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.479 2.242 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.819 3.497 5.124 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.189 2.840 3.609 1.00 0.00 H new ATOM 178 N LEU A 11 -4.342 4.303 1.137 1.00 0.00 N ATOM 179 CA LEU A 11 -3.656 4.313 -0.154 1.00 0.00 C ATOM 180 C LEU A 11 -3.323 5.737 -0.580 1.00 0.00 C ATOM 181 O LEU A 11 -2.214 6.025 -1.030 1.00 0.00 O ATOM 182 CB LEU A 11 -4.528 3.656 -1.225 1.00 0.00 C ATOM 183 CG LEU A 11 -4.843 2.178 -1.002 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.828 1.688 -2.051 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.568 1.346 -1.034 1.00 0.00 C ATOM 0 H LEU A 11 -5.247 3.833 1.126 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.729 3.750 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.468 4.204 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.030 3.762 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.297 2.064 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.045 0.633 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.751 2.264 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.396 1.815 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.814 0.296 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.083 1.461 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.893 1.685 -0.248 1.00 0.00 H new ATOM 197 N GLN A 12 -4.291 6.623 -0.416 1.00 0.00 N ATOM 198 CA GLN A 12 -4.144 8.015 -0.817 1.00 0.00 C ATOM 199 C GLN A 12 -3.177 8.754 0.111 1.00 0.00 C ATOM 200 O GLN A 12 -2.479 9.680 -0.313 1.00 0.00 O ATOM 201 CB GLN A 12 -5.518 8.686 -0.837 1.00 0.00 C ATOM 202 CG GLN A 12 -6.446 8.094 -1.890 1.00 0.00 C ATOM 203 CD GLN A 12 -7.878 8.586 -1.786 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.374 8.881 -0.699 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.554 8.674 -2.922 1.00 0.00 N ATOM 0 H GLN A 12 -5.197 6.401 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.719 8.055 -1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.980 8.588 0.145 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.394 9.752 -1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.059 8.336 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.437 7.008 -1.801 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.107 8.420 -3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.522 8.996 -2.916 1.00 0.00 H new ATOM 214 N ALA A 13 -3.127 8.332 1.369 1.00 0.00 N ATOM 215 CA ALA A 13 -2.191 8.897 2.334 1.00 0.00 C ATOM 216 C ALA A 13 -0.774 8.403 2.056 1.00 0.00 C ATOM 217 O ALA A 13 0.195 9.159 2.158 1.00 0.00 O ATOM 218 CB ALA A 13 -2.612 8.545 3.754 1.00 0.00 C ATOM 0 H ALA A 13 -3.726 7.598 1.746 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.203 9.982 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.902 8.975 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.606 8.947 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.629 7.461 3.870 1.00 0.00 H new ATOM 224 N LEU A 14 -0.661 7.128 1.702 1.00 0.00 N ATOM 225 CA LEU A 14 0.619 6.541 1.324 1.00 0.00 C ATOM 226 C LEU A 14 1.151 7.211 0.063 1.00 0.00 C ATOM 227 O LEU A 14 2.349 7.468 -0.063 1.00 0.00 O ATOM 228 CB LEU A 14 0.462 5.034 1.099 1.00 0.00 C ATOM 229 CG LEU A 14 1.730 4.294 0.662 1.00 0.00 C ATOM 230 CD1 LEU A 14 2.809 4.395 1.730 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.414 2.837 0.358 1.00 0.00 C ATOM 0 H LEU A 14 -1.446 6.477 1.669 1.00 0.00 H new ATOM 0 HA LEU A 14 1.333 6.701 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.100 4.583 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.308 4.876 0.344 1.00 0.00 H new ATOM 0 HG LEU A 14 2.106 4.765 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.700 3.862 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.055 5.443 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.446 3.952 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.325 2.324 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.013 2.358 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.678 2.784 -0.444 1.00 0.00 H new ATOM 243 N GLU A 15 0.239 7.499 -0.861 1.00 0.00 N ATOM 244 CA GLU A 15 0.568 8.233 -2.073 1.00 0.00 C ATOM 245 C GLU A 15 1.208 9.572 -1.725 1.00 0.00 C ATOM 246 O GLU A 15 2.220 9.954 -2.308 1.00 0.00 O ATOM 247 CB GLU A 15 -0.695 8.455 -2.908 1.00 0.00 C ATOM 248 CG GLU A 15 -0.468 9.290 -4.154 1.00 0.00 C ATOM 249 CD GLU A 15 -1.757 9.606 -4.874 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.458 10.552 -4.453 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.083 8.915 -5.854 1.00 0.00 O ATOM 0 H GLU A 15 -0.743 7.231 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 15 1.280 7.648 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.101 7.486 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.448 8.942 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.030 10.220 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.202 8.757 -4.829 1.00 0.00 H new ATOM 258 N ALA A 16 0.624 10.265 -0.753 1.00 0.00 N ATOM 259 CA ALA A 16 1.140 11.555 -0.314 1.00 0.00 C ATOM 260 C ALA A 16 2.547 11.412 0.261 1.00 0.00 C ATOM 261 O ALA A 16 3.419 12.235 -0.009 1.00 0.00 O ATOM 262 CB ALA A 16 0.205 12.179 0.709 1.00 0.00 C ATOM 0 H ALA A 16 -0.209 9.953 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 16 1.195 12.213 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.604 13.142 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.779 12.324 0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.118 11.519 1.572 1.00 0.00 H new ATOM 268 N LEU A 17 2.761 10.349 1.032 1.00 0.00 N ATOM 269 CA LEU A 17 4.065 10.072 1.630 1.00 0.00 C ATOM 270 C LEU A 17 5.122 9.901 0.535 1.00 0.00 C ATOM 271 O LEU A 17 6.211 10.480 0.604 1.00 0.00 O ATOM 272 CB LEU A 17 3.971 8.815 2.513 1.00 0.00 C ATOM 273 CG LEU A 17 5.181 8.514 3.413 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.765 7.614 4.566 1.00 0.00 C ATOM 275 CD2 LEU A 17 6.305 7.851 2.628 1.00 0.00 C ATOM 0 H LEU A 17 2.043 9.661 1.259 1.00 0.00 H new ATOM 0 HA LEU A 17 4.365 10.912 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.090 8.909 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.806 7.955 1.864 1.00 0.00 H new ATOM 0 HG LEU A 17 5.549 9.463 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.630 7.407 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.996 8.111 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.371 6.677 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.145 7.652 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.948 6.913 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.628 8.513 1.825 1.00 0.00 H new ATOM 287 N LEU A 18 4.790 9.115 -0.482 1.00 0.00 N ATOM 288 CA LEU A 18 5.693 8.897 -1.610 1.00 0.00 C ATOM 289 C LEU A 18 5.880 10.195 -2.389 1.00 0.00 C ATOM 290 O LEU A 18 6.982 10.517 -2.832 1.00 0.00 O ATOM 291 CB LEU A 18 5.143 7.805 -2.531 1.00 0.00 C ATOM 292 CG LEU A 18 4.926 6.442 -1.871 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.314 5.463 -2.861 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.236 5.898 -1.321 1.00 0.00 C ATOM 0 H LEU A 18 3.902 8.617 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 18 6.660 8.573 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.194 8.145 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.829 7.680 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 18 4.233 6.569 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.166 4.499 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.354 5.847 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.983 5.341 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.060 4.928 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.953 5.786 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.634 6.590 -0.579 1.00 0.00 H new ATOM 306 N ARG A 19 4.786 10.927 -2.528 1.00 0.00 N ATOM 307 CA ARG A 19 4.773 12.227 -3.188 1.00 0.00 C ATOM 308 C ARG A 19 5.764 13.189 -2.532 1.00 0.00 C ATOM 309 O ARG A 19 6.464 13.933 -3.221 1.00 0.00 O ATOM 310 CB ARG A 19 3.342 12.771 -3.138 1.00 0.00 C ATOM 311 CG ARG A 19 3.179 14.240 -3.480 1.00 0.00 C ATOM 312 CD ARG A 19 1.707 14.616 -3.441 1.00 0.00 C ATOM 313 NE ARG A 19 1.490 16.057 -3.392 1.00 0.00 N ATOM 314 CZ ARG A 19 0.289 16.625 -3.497 1.00 0.00 C ATOM 315 NH1 ARG A 19 -0.784 15.879 -3.732 1.00 0.00 N ATOM 316 NH2 ARG A 19 0.161 17.940 -3.386 1.00 0.00 N ATOM 0 H ARG A 19 3.872 10.634 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 19 5.088 12.122 -4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.728 12.188 -3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.946 12.605 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.739 14.852 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.589 14.440 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.210 14.209 -4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.242 14.154 -2.570 1.00 0.00 H new ATOM 0 HE ARG A 19 2.301 16.663 -3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.690 14.868 -3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.702 16.317 -3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.983 18.520 -3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.760 18.371 -3.467 1.00 0.00 H new ATOM 330 N GLU A 20 5.838 13.152 -1.204 1.00 0.00 N ATOM 331 CA GLU A 20 6.782 13.983 -0.459 1.00 0.00 C ATOM 332 C GLU A 20 8.219 13.654 -0.839 1.00 0.00 C ATOM 333 O GLU A 20 9.052 14.543 -1.009 1.00 0.00 O ATOM 334 CB GLU A 20 6.623 13.771 1.046 1.00 0.00 C ATOM 335 CG GLU A 20 5.250 14.105 1.588 1.00 0.00 C ATOM 336 CD GLU A 20 5.166 13.883 3.082 1.00 0.00 C ATOM 337 OE1 GLU A 20 4.854 12.753 3.505 1.00 0.00 O ATOM 338 OE2 GLU A 20 5.438 14.837 3.841 1.00 0.00 O ATOM 0 H GLU A 20 5.254 12.554 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 20 6.564 15.020 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.848 12.730 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.362 14.380 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.013 15.144 1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.502 13.491 1.087 1.00 0.00 H new ATOM 345 N HIS A 21 8.499 12.368 -0.977 1.00 0.00 N ATOM 346 CA HIS A 21 9.867 11.904 -1.169 1.00 0.00 C ATOM 347 C HIS A 21 10.150 11.603 -2.638 1.00 0.00 C ATOM 348 O HIS A 21 11.046 10.825 -2.959 1.00 0.00 O ATOM 349 CB HIS A 21 10.129 10.669 -0.301 1.00 0.00 C ATOM 350 CG HIS A 21 9.878 10.909 1.160 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.482 11.922 1.870 1.00 0.00 N ATOM 352 CD2 HIS A 21 9.047 10.292 2.032 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.036 11.915 3.110 1.00 0.00 C ATOM 354 NE2 HIS A 21 9.159 10.938 3.239 1.00 0.00 N ATOM 0 H HIS A 21 7.799 11.626 -0.960 1.00 0.00 H new ATOM 0 HA HIS A 21 10.544 12.701 -0.862 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.494 9.851 -0.643 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.162 10.349 -0.438 1.00 0.00 H new ATOM 0 HD2 HIS A 21 8.411 9.446 1.818 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.338 12.596 3.891 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.650 10.702 4.091 1.00 0.00 H new ATOM 363 N GLN A 22 9.367 12.232 -3.517 1.00 0.00 N ATOM 364 CA GLN A 22 9.578 12.174 -4.969 1.00 0.00 C ATOM 365 C GLN A 22 9.472 10.753 -5.520 1.00 0.00 C ATOM 366 O GLN A 22 9.982 10.460 -6.601 1.00 0.00 O ATOM 367 CB GLN A 22 10.938 12.771 -5.335 1.00 0.00 C ATOM 368 CG GLN A 22 11.125 14.191 -4.834 1.00 0.00 C ATOM 369 CD GLN A 22 12.371 14.853 -5.381 1.00 0.00 C ATOM 370 OE1 GLN A 22 13.370 14.196 -5.677 1.00 0.00 O ATOM 371 NE2 GLN A 22 12.320 16.167 -5.504 1.00 0.00 N ATOM 0 H GLN A 22 8.565 12.799 -3.243 1.00 0.00 H new ATOM 0 HA GLN A 22 8.783 12.763 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.726 12.141 -4.923 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.053 12.757 -6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.254 14.785 -5.110 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.173 14.183 -3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.471 16.671 -5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.129 16.678 -5.856 1.00 0.00 H new ATOM 380 N HIS A 23 8.771 9.886 -4.808 1.00 0.00 N ATOM 381 CA HIS A 23 8.622 8.503 -5.236 1.00 0.00 C ATOM 382 C HIS A 23 7.362 8.316 -6.068 1.00 0.00 C ATOM 383 O HIS A 23 6.874 7.201 -6.228 1.00 0.00 O ATOM 384 CB HIS A 23 8.619 7.554 -4.039 1.00 0.00 C ATOM 385 CG HIS A 23 9.938 6.876 -3.832 1.00 0.00 C ATOM 386 ND1 HIS A 23 10.185 5.581 -4.234 1.00 0.00 N ATOM 387 CD2 HIS A 23 11.087 7.317 -3.270 1.00 0.00 C ATOM 388 CE1 HIS A 23 11.425 5.256 -3.929 1.00 0.00 C ATOM 389 NE2 HIS A 23 11.996 6.290 -3.345 1.00 0.00 N ATOM 0 H HIS A 23 8.297 10.113 -3.934 1.00 0.00 H new ATOM 0 HA HIS A 23 9.480 8.260 -5.862 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.357 8.112 -3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.846 6.799 -4.182 1.00 0.00 H new ATOM 0 HD1 HIS A 23 9.512 4.969 -4.696 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.258 8.294 -2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.894 4.303 -4.125 1.00 0.00 H new ATOM 398 N TRP A 24 6.846 9.414 -6.602 1.00 0.00 N ATOM 399 CA TRP A 24 5.746 9.353 -7.549 1.00 0.00 C ATOM 400 C TRP A 24 6.321 9.391 -8.965 1.00 0.00 C ATOM 401 O TRP A 24 5.605 9.518 -9.959 1.00 0.00 O ATOM 402 CB TRP A 24 4.769 10.513 -7.313 1.00 0.00 C ATOM 403 CG TRP A 24 3.452 10.337 -8.007 1.00 0.00 C ATOM 404 CD1 TRP A 24 2.940 11.115 -9.003 1.00 0.00 C ATOM 405 CD2 TRP A 24 2.487 9.307 -7.761 1.00 0.00 C ATOM 406 NE1 TRP A 24 1.713 10.634 -9.389 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.413 9.524 -8.643 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.428 8.220 -6.881 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.294 8.698 -8.671 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.316 7.400 -6.910 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.262 7.643 -7.800 1.00 0.00 C ATOM 0 H TRP A 24 7.173 10.358 -6.394 1.00 0.00 H new ATOM 0 HA TRP A 24 5.187 8.427 -7.413 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.595 10.619 -6.242 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.229 11.440 -7.654 1.00 0.00 H new ATOM 0 HD1 TRP A 24 3.427 11.981 -9.426 1.00 0.00 H new ATOM 0 HE1 TRP A 24 1.120 11.038 -10.114 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.237 8.026 -6.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.520 8.883 -9.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.259 6.558 -6.236 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.594 6.984 -7.799 1.00 0.00 H new ATOM 422 N ARG A 25 7.640 9.284 -9.031 1.00 0.00 N ATOM 423 CA ARG A 25 8.359 9.248 -10.291 1.00 0.00 C ATOM 424 C ARG A 25 8.932 7.856 -10.516 1.00 0.00 C ATOM 425 O ARG A 25 9.760 7.384 -9.735 1.00 0.00 O ATOM 426 CB ARG A 25 9.481 10.285 -10.287 1.00 0.00 C ATOM 427 CG ARG A 25 8.981 11.717 -10.299 1.00 0.00 C ATOM 428 CD ARG A 25 10.110 12.707 -10.075 1.00 0.00 C ATOM 429 NE ARG A 25 9.694 14.081 -10.346 1.00 0.00 N ATOM 430 CZ ARG A 25 9.734 15.070 -9.451 1.00 0.00 C ATOM 431 NH1 ARG A 25 10.080 14.825 -8.195 1.00 0.00 N ATOM 432 NH2 ARG A 25 9.416 16.305 -9.816 1.00 0.00 N ATOM 0 H ARG A 25 8.241 9.220 -8.209 1.00 0.00 H new ATOM 0 HA ARG A 25 7.669 9.484 -11.101 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.103 10.133 -9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.118 10.123 -11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.498 11.926 -11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.225 11.845 -9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.461 12.631 -9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.951 12.449 -10.718 1.00 0.00 H new ATOM 0 HE ARG A 25 9.350 14.299 -11.281 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.318 13.876 -7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.108 15.586 -7.516 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.141 16.497 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.446 17.062 -9.133 1.00 0.00 H new ATOM 446 N ASN A 26 8.479 7.201 -11.569 1.00 0.00 N ATOM 447 CA ASN A 26 8.927 5.855 -11.884 1.00 0.00 C ATOM 448 C ASN A 26 9.991 5.921 -12.962 1.00 0.00 C ATOM 449 O ASN A 26 9.788 6.558 -13.998 1.00 0.00 O ATOM 450 CB ASN A 26 7.758 4.996 -12.368 1.00 0.00 C ATOM 451 CG ASN A 26 6.531 5.118 -11.484 1.00 0.00 C ATOM 452 OD1 ASN A 26 5.671 5.970 -11.715 1.00 0.00 O ATOM 453 ND2 ASN A 26 6.441 4.278 -10.470 1.00 0.00 N ATOM 0 H ASN A 26 7.797 7.581 -12.225 1.00 0.00 H new ATOM 0 HA ASN A 26 9.339 5.401 -10.983 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.497 5.287 -13.386 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.071 3.953 -12.405 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.638 4.320 -9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.175 3.587 -10.313 1.00 0.00 H new ATOM 460 N ASP A 27 11.124 5.283 -12.721 1.00 0.00 N ATOM 461 CA ASP A 27 12.222 5.312 -13.676 1.00 0.00 C ATOM 462 C ASP A 27 11.942 4.385 -14.849 1.00 0.00 C ATOM 463 O ASP A 27 12.049 3.166 -14.733 1.00 0.00 O ATOM 464 CB ASP A 27 13.544 4.934 -13.009 1.00 0.00 C ATOM 465 CG ASP A 27 14.719 5.095 -13.951 1.00 0.00 C ATOM 466 OD1 ASP A 27 14.913 6.212 -14.480 1.00 0.00 O ATOM 467 OD2 ASP A 27 15.460 4.115 -14.163 1.00 0.00 O ATOM 0 H ASP A 27 11.308 4.741 -11.877 1.00 0.00 H new ATOM 0 HA ASP A 27 12.307 6.332 -14.050 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.697 5.557 -12.128 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.494 3.901 -12.664 1.00 0.00 H new ATOM 472 N GLU A 28 11.569 4.992 -15.970 1.00 0.00 N ATOM 473 CA GLU A 28 11.251 4.275 -17.201 1.00 0.00 C ATOM 474 C GLU A 28 10.057 3.339 -17.017 1.00 0.00 C ATOM 475 O GLU A 28 10.218 2.122 -16.913 1.00 0.00 O ATOM 476 CB GLU A 28 12.460 3.494 -17.725 1.00 0.00 C ATOM 477 CG GLU A 28 13.656 4.371 -18.051 1.00 0.00 C ATOM 478 CD GLU A 28 14.669 3.667 -18.923 1.00 0.00 C ATOM 479 OE1 GLU A 28 14.415 3.534 -20.136 1.00 0.00 O ATOM 480 OE2 GLU A 28 15.730 3.254 -18.407 1.00 0.00 O ATOM 0 H GLU A 28 11.478 6.005 -16.051 1.00 0.00 H new ATOM 0 HA GLU A 28 10.982 5.027 -17.942 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.755 2.754 -16.980 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.167 2.946 -18.620 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.313 5.275 -18.555 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.135 4.685 -17.124 1.00 0.00 H new ATOM 487 N PRO A 29 8.838 3.901 -16.964 1.00 0.00 N ATOM 488 CA PRO A 29 7.610 3.112 -16.877 1.00 0.00 C ATOM 489 C PRO A 29 7.342 2.367 -18.179 1.00 0.00 C ATOM 490 O PRO A 29 6.742 2.907 -19.110 1.00 0.00 O ATOM 491 CB PRO A 29 6.510 4.152 -16.612 1.00 0.00 C ATOM 492 CG PRO A 29 7.229 5.419 -16.281 1.00 0.00 C ATOM 493 CD PRO A 29 8.555 5.340 -16.979 1.00 0.00 C ATOM 0 HA PRO A 29 7.664 2.350 -16.100 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.872 4.280 -17.487 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.865 3.841 -15.790 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.663 6.288 -16.617 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.361 5.522 -15.204 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.503 5.732 -17.995 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.323 5.910 -16.456 1.00 0.00 H new ATOM 501 N GLN A 30 7.825 1.140 -18.250 1.00 0.00 N ATOM 502 CA GLN A 30 7.701 0.330 -19.449 1.00 0.00 C ATOM 503 C GLN A 30 6.667 -0.766 -19.248 1.00 0.00 C ATOM 504 O GLN A 30 6.504 -1.273 -18.142 1.00 0.00 O ATOM 505 CB GLN A 30 9.040 -0.332 -19.783 1.00 0.00 C ATOM 506 CG GLN A 30 10.192 0.636 -19.992 1.00 0.00 C ATOM 507 CD GLN A 30 11.516 -0.083 -20.171 1.00 0.00 C ATOM 508 OE1 GLN A 30 11.568 -1.207 -20.677 1.00 0.00 O ATOM 509 NE2 GLN A 30 12.597 0.555 -19.747 1.00 0.00 N ATOM 0 H GLN A 30 8.312 0.678 -17.482 1.00 0.00 H new ATOM 0 HA GLN A 30 7.393 0.986 -20.263 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.301 -1.018 -18.977 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.919 -0.931 -20.685 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.993 1.252 -20.869 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.258 1.310 -19.138 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.512 1.484 -19.334 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.514 0.117 -19.834 1.00 0.00 H new ATOM 518 N PRO A 31 5.962 -1.166 -20.316 1.00 0.00 N ATOM 519 CA PRO A 31 5.120 -2.363 -20.284 1.00 0.00 C ATOM 520 C PRO A 31 5.978 -3.596 -20.018 1.00 0.00 C ATOM 521 O PRO A 31 5.500 -4.627 -19.549 1.00 0.00 O ATOM 522 CB PRO A 31 4.503 -2.424 -21.687 1.00 0.00 C ATOM 523 CG PRO A 31 4.666 -1.049 -22.245 1.00 0.00 C ATOM 524 CD PRO A 31 5.912 -0.487 -21.620 1.00 0.00 C ATOM 0 HA PRO A 31 4.363 -2.332 -19.500 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.008 -3.164 -22.308 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.452 -2.709 -21.643 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.754 -1.078 -23.331 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.800 -0.429 -22.012 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.796 -0.700 -22.220 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.855 0.596 -21.509 1.00 0.00 H new ATOM 532 N HIS A 32 7.271 -3.443 -20.304 1.00 0.00 N ATOM 533 CA HIS A 32 8.266 -4.483 -20.080 1.00 0.00 C ATOM 534 C HIS A 32 8.398 -4.803 -18.590 1.00 0.00 C ATOM 535 O HIS A 32 8.852 -5.884 -18.218 1.00 0.00 O ATOM 536 CB HIS A 32 9.615 -4.033 -20.661 1.00 0.00 C ATOM 537 CG HIS A 32 10.701 -5.061 -20.575 1.00 0.00 C ATOM 538 ND1 HIS A 32 10.689 -6.225 -21.308 1.00 0.00 N ATOM 539 CD2 HIS A 32 11.837 -5.091 -19.843 1.00 0.00 C ATOM 540 CE1 HIS A 32 11.768 -6.928 -21.031 1.00 0.00 C ATOM 541 NE2 HIS A 32 12.482 -6.262 -20.146 1.00 0.00 N ATOM 0 H HIS A 32 7.657 -2.586 -20.701 1.00 0.00 H new ATOM 0 HA HIS A 32 7.945 -5.394 -20.585 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.473 -3.759 -21.706 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.940 -3.134 -20.137 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.173 -4.334 -19.150 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.024 -7.887 -21.457 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.371 -6.568 -19.750 1.00 0.00 H new ATOM 550 N GLN A 33 7.994 -3.859 -17.742 1.00 0.00 N ATOM 551 CA GLN A 33 7.988 -4.077 -16.299 1.00 0.00 C ATOM 552 C GLN A 33 7.024 -5.201 -15.941 1.00 0.00 C ATOM 553 O GLN A 33 7.328 -6.054 -15.110 1.00 0.00 O ATOM 554 CB GLN A 33 7.566 -2.801 -15.563 1.00 0.00 C ATOM 555 CG GLN A 33 8.571 -1.662 -15.645 1.00 0.00 C ATOM 556 CD GLN A 33 8.011 -0.363 -15.093 1.00 0.00 C ATOM 557 OE1 GLN A 33 6.815 -0.102 -15.187 1.00 0.00 O ATOM 558 NE2 GLN A 33 8.867 0.458 -14.510 1.00 0.00 N ATOM 0 H GLN A 33 7.667 -2.937 -18.030 1.00 0.00 H new ATOM 0 HA GLN A 33 8.998 -4.350 -15.993 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.615 -2.459 -15.971 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.394 -3.042 -14.514 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.470 -1.932 -15.091 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.868 -1.516 -16.684 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.854 0.208 -14.450 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.541 1.342 -14.120 1.00 0.00 H new ATOM 567 N PHE A 34 5.877 -5.209 -16.610 1.00 0.00 N ATOM 568 CA PHE A 34 4.809 -6.153 -16.308 1.00 0.00 C ATOM 569 C PHE A 34 5.029 -7.484 -17.017 1.00 0.00 C ATOM 570 O PHE A 34 4.250 -8.424 -16.845 1.00 0.00 O ATOM 571 CB PHE A 34 3.456 -5.569 -16.724 1.00 0.00 C ATOM 572 CG PHE A 34 3.125 -4.262 -16.059 1.00 0.00 C ATOM 573 CD1 PHE A 34 2.472 -4.238 -14.838 1.00 0.00 C ATOM 574 CD2 PHE A 34 3.465 -3.058 -16.658 1.00 0.00 C ATOM 575 CE1 PHE A 34 2.162 -3.038 -14.225 1.00 0.00 C ATOM 576 CE2 PHE A 34 3.158 -1.856 -16.050 1.00 0.00 C ATOM 577 CZ PHE A 34 2.505 -1.845 -14.833 1.00 0.00 C ATOM 0 H PHE A 34 5.662 -4.566 -17.372 1.00 0.00 H new ATOM 0 HA PHE A 34 4.816 -6.331 -15.233 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.450 -5.427 -17.805 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.673 -6.291 -16.493 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.202 -5.167 -14.359 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.975 -3.060 -17.610 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.653 -3.033 -13.273 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.429 -0.925 -16.526 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.263 -0.906 -14.357 1.00 0.00 H new ATOM 587 N ASN A 35 6.079 -7.559 -17.828 1.00 0.00 N ATOM 588 CA ASN A 35 6.398 -8.790 -18.549 1.00 0.00 C ATOM 589 C ASN A 35 6.878 -9.841 -17.560 1.00 0.00 C ATOM 590 O ASN A 35 6.606 -11.032 -17.718 1.00 0.00 O ATOM 591 CB ASN A 35 7.455 -8.520 -19.629 1.00 0.00 C ATOM 592 CG ASN A 35 7.586 -9.643 -20.650 1.00 0.00 C ATOM 593 OD1 ASN A 35 7.438 -10.822 -20.336 1.00 0.00 O ATOM 594 ND2 ASN A 35 7.861 -9.274 -21.891 1.00 0.00 N ATOM 0 H ASN A 35 6.722 -6.787 -18.003 1.00 0.00 H new ATOM 0 HA ASN A 35 5.504 -9.162 -19.049 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.203 -7.596 -20.149 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.421 -8.363 -19.149 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.957 -9.978 -22.623 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.977 -8.286 -22.115 1.00 0.00 H new ATOM 601 N SER A 36 7.575 -9.389 -16.530 1.00 0.00 N ATOM 602 CA SER A 36 7.913 -10.253 -15.419 1.00 0.00 C ATOM 603 C SER A 36 6.698 -10.363 -14.512 1.00 0.00 C ATOM 604 O SER A 36 6.369 -9.427 -13.785 1.00 0.00 O ATOM 605 CB SER A 36 9.117 -9.710 -14.644 1.00 0.00 C ATOM 606 OG SER A 36 9.512 -10.606 -13.620 1.00 0.00 O ATOM 0 H SER A 36 7.915 -8.431 -16.443 1.00 0.00 H new ATOM 0 HA SER A 36 8.189 -11.238 -15.795 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.949 -9.545 -15.328 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.867 -8.743 -14.208 1.00 0.00 H new ATOM 0 HG SER A 36 10.073 -10.133 -12.970 1.00 0.00 H new ATOM 612 N THR A 37 6.026 -11.500 -14.571 1.00 0.00 N ATOM 613 CA THR A 37 4.758 -11.681 -13.884 1.00 0.00 C ATOM 614 C THR A 37 4.968 -12.001 -12.397 1.00 0.00 C ATOM 615 O THR A 37 4.086 -12.542 -11.725 1.00 0.00 O ATOM 616 CB THR A 37 3.924 -12.783 -14.582 1.00 0.00 C ATOM 617 OG1 THR A 37 2.606 -12.860 -14.018 1.00 0.00 O ATOM 618 CG2 THR A 37 4.608 -14.139 -14.477 1.00 0.00 C ATOM 0 H THR A 37 6.341 -12.318 -15.092 1.00 0.00 H new ATOM 0 HA THR A 37 4.204 -10.744 -13.937 1.00 0.00 H new ATOM 0 HB THR A 37 3.843 -12.515 -15.635 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.662 -12.779 -13.043 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.999 -14.893 -14.976 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.587 -14.090 -14.953 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.728 -14.406 -13.427 1.00 0.00 H new ATOM 626 N GLN A 38 6.137 -11.631 -11.880 1.00 0.00 N ATOM 627 CA GLN A 38 6.433 -11.791 -10.464 1.00 0.00 C ATOM 628 C GLN A 38 5.532 -10.885 -9.634 1.00 0.00 C ATOM 629 O GLN A 38 5.146 -9.807 -10.082 1.00 0.00 O ATOM 630 CB GLN A 38 7.893 -11.457 -10.166 1.00 0.00 C ATOM 631 CG GLN A 38 8.892 -12.311 -10.920 1.00 0.00 C ATOM 632 CD GLN A 38 10.318 -11.960 -10.559 1.00 0.00 C ATOM 633 OE1 GLN A 38 10.908 -11.061 -11.149 1.00 0.00 O ATOM 634 NE2 GLN A 38 10.883 -12.664 -9.593 1.00 0.00 N ATOM 0 H GLN A 38 6.894 -11.218 -12.424 1.00 0.00 H new ATOM 0 HA GLN A 38 6.251 -12.833 -10.201 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.071 -10.409 -10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.069 -11.571 -9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.710 -13.363 -10.700 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.746 -12.180 -11.992 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.358 -13.404 -9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.844 -12.467 -9.314 1.00 0.00 H new ATOM 643 N PRO A 39 5.210 -11.301 -8.403 1.00 0.00 N ATOM 644 CA PRO A 39 4.300 -10.561 -7.519 1.00 0.00 C ATOM 645 C PRO A 39 4.791 -9.152 -7.179 1.00 0.00 C ATOM 646 O PRO A 39 4.008 -8.308 -6.761 1.00 0.00 O ATOM 647 CB PRO A 39 4.253 -11.415 -6.247 1.00 0.00 C ATOM 648 CG PRO A 39 4.716 -12.768 -6.664 1.00 0.00 C ATOM 649 CD PRO A 39 5.697 -12.542 -7.774 1.00 0.00 C ATOM 0 HA PRO A 39 3.332 -10.412 -7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.897 -11.001 -5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.244 -11.454 -5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.182 -13.295 -5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.880 -13.381 -7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.714 -12.431 -7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.707 -13.374 -8.478 1.00 0.00 H new ATOM 657 N PHE A 40 6.087 -8.903 -7.348 1.00 0.00 N ATOM 658 CA PHE A 40 6.662 -7.605 -6.997 1.00 0.00 C ATOM 659 C PHE A 40 7.588 -7.079 -8.092 1.00 0.00 C ATOM 660 O PHE A 40 8.338 -6.131 -7.859 1.00 0.00 O ATOM 661 CB PHE A 40 7.442 -7.703 -5.680 1.00 0.00 C ATOM 662 CG PHE A 40 6.590 -7.987 -4.474 1.00 0.00 C ATOM 663 CD1 PHE A 40 6.331 -9.289 -4.083 1.00 0.00 C ATOM 664 CD2 PHE A 40 6.055 -6.949 -3.730 1.00 0.00 C ATOM 665 CE1 PHE A 40 5.554 -9.554 -2.974 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.277 -7.207 -2.618 1.00 0.00 C ATOM 667 CZ PHE A 40 5.027 -8.512 -2.240 1.00 0.00 C ATOM 0 H PHE A 40 6.755 -9.576 -7.723 1.00 0.00 H new ATOM 0 HA PHE A 40 5.832 -6.907 -6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.192 -8.489 -5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.978 -6.768 -5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.743 -10.109 -4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.248 -5.927 -4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.359 -10.575 -2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.865 -6.390 -2.045 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.420 -8.716 -1.371 1.00 0.00 H new ATOM 677 N PHE A 41 7.528 -7.693 -9.280 1.00 0.00 N ATOM 678 CA PHE A 41 8.399 -7.311 -10.404 1.00 0.00 C ATOM 679 C PHE A 41 9.863 -7.267 -9.958 1.00 0.00 C ATOM 680 O PHE A 41 10.609 -6.349 -10.296 1.00 0.00 O ATOM 681 CB PHE A 41 7.975 -5.950 -10.965 1.00 0.00 C ATOM 682 CG PHE A 41 6.519 -5.883 -11.336 1.00 0.00 C ATOM 683 CD1 PHE A 41 6.012 -6.681 -12.349 1.00 0.00 C ATOM 684 CD2 PHE A 41 5.659 -5.032 -10.665 1.00 0.00 C ATOM 685 CE1 PHE A 41 4.673 -6.628 -12.684 1.00 0.00 C ATOM 686 CE2 PHE A 41 4.319 -4.976 -10.996 1.00 0.00 C ATOM 687 CZ PHE A 41 3.825 -5.774 -12.007 1.00 0.00 C ATOM 0 H PHE A 41 6.886 -8.457 -9.490 1.00 0.00 H new ATOM 0 HA PHE A 41 8.299 -8.061 -11.189 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.190 -5.178 -10.226 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.577 -5.725 -11.845 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.670 -7.351 -12.882 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.040 -4.404 -9.873 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.289 -7.255 -13.476 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.658 -4.308 -10.464 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.778 -5.731 -12.268 1.00 0.00 H new ATOM 697 N MET A 42 10.261 -8.305 -9.230 1.00 0.00 N ATOM 698 CA MET A 42 11.535 -8.333 -8.509 1.00 0.00 C ATOM 699 C MET A 42 12.747 -8.320 -9.442 1.00 0.00 C ATOM 700 O MET A 42 13.774 -7.723 -9.124 1.00 0.00 O ATOM 701 CB MET A 42 11.594 -9.584 -7.632 1.00 0.00 C ATOM 702 CG MET A 42 10.349 -9.801 -6.785 1.00 0.00 C ATOM 703 SD MET A 42 10.271 -11.460 -6.082 1.00 0.00 S ATOM 704 CE MET A 42 8.674 -11.414 -5.265 1.00 0.00 C ATOM 0 H MET A 42 9.709 -9.156 -9.121 1.00 0.00 H new ATOM 0 HA MET A 42 11.580 -7.428 -7.904 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.745 -10.456 -8.269 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.461 -9.515 -6.975 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.330 -9.067 -5.979 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.463 -9.627 -7.396 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.323 -12.432 -5.096 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.769 -10.899 -4.309 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.959 -10.883 -5.893 1.00 0.00 H new ATOM 714 N ASP A 43 12.641 -9.002 -10.574 1.00 0.00 N ATOM 715 CA ASP A 43 13.772 -9.133 -11.489 1.00 0.00 C ATOM 716 C ASP A 43 13.854 -7.950 -12.447 1.00 0.00 C ATOM 717 O ASP A 43 14.944 -7.467 -12.756 1.00 0.00 O ATOM 718 CB ASP A 43 13.673 -10.438 -12.282 1.00 0.00 C ATOM 719 CG ASP A 43 14.856 -10.655 -13.202 1.00 0.00 C ATOM 720 OD1 ASP A 43 15.910 -11.121 -12.722 1.00 0.00 O ATOM 721 OD2 ASP A 43 14.736 -10.372 -14.411 1.00 0.00 O ATOM 0 H ASP A 43 11.789 -9.472 -10.882 1.00 0.00 H new ATOM 0 HA ASP A 43 14.681 -9.148 -10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.600 -11.275 -11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.756 -10.431 -12.871 1.00 0.00 H new ATOM 726 N THR A 44 12.700 -7.481 -12.905 1.00 0.00 N ATOM 727 CA THR A 44 12.646 -6.396 -13.872 1.00 0.00 C ATOM 728 C THR A 44 13.221 -5.104 -13.296 1.00 0.00 C ATOM 729 O THR A 44 14.073 -4.465 -13.915 1.00 0.00 O ATOM 730 CB THR A 44 11.202 -6.162 -14.344 1.00 0.00 C ATOM 731 OG1 THR A 44 10.285 -6.755 -13.412 1.00 0.00 O ATOM 732 CG2 THR A 44 10.985 -6.751 -15.729 1.00 0.00 C ATOM 0 H THR A 44 11.788 -7.837 -12.620 1.00 0.00 H new ATOM 0 HA THR A 44 13.257 -6.689 -14.726 1.00 0.00 H new ATOM 0 HB THR A 44 11.024 -5.088 -14.395 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.366 -6.602 -13.715 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.956 -6.574 -16.043 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.667 -6.278 -16.436 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.176 -7.824 -15.702 1.00 0.00 H new ATOM 740 N MET A 45 12.759 -4.733 -12.111 1.00 0.00 N ATOM 741 CA MET A 45 13.238 -3.535 -11.429 1.00 0.00 C ATOM 742 C MET A 45 13.188 -3.750 -9.925 1.00 0.00 C ATOM 743 O MET A 45 13.007 -4.876 -9.466 1.00 0.00 O ATOM 744 CB MET A 45 12.398 -2.307 -11.812 1.00 0.00 C ATOM 745 CG MET A 45 12.576 -1.867 -13.256 1.00 0.00 C ATOM 746 SD MET A 45 11.631 -0.387 -13.655 1.00 0.00 S ATOM 747 CE MET A 45 12.337 0.782 -12.495 1.00 0.00 C ATOM 0 H MET A 45 12.046 -5.249 -11.596 1.00 0.00 H new ATOM 0 HA MET A 45 14.267 -3.350 -11.738 1.00 0.00 H new ATOM 0 HB2 MET A 45 11.345 -2.530 -11.637 1.00 0.00 H new ATOM 0 HB3 MET A 45 12.662 -1.479 -11.155 1.00 0.00 H new ATOM 0 HG2 MET A 45 13.633 -1.680 -13.447 1.00 0.00 H new ATOM 0 HG3 MET A 45 12.271 -2.677 -13.918 1.00 0.00 H new ATOM 0 HE1 MET A 45 11.987 1.787 -12.733 1.00 0.00 H new ATOM 0 HE2 MET A 45 12.029 0.521 -11.482 1.00 0.00 H new ATOM 0 HE3 MET A 45 13.424 0.751 -12.563 1.00 0.00 H new ATOM 757 N GLU A 46 13.374 -2.685 -9.157 1.00 0.00 N ATOM 758 CA GLU A 46 13.257 -2.775 -7.708 1.00 0.00 C ATOM 759 C GLU A 46 11.830 -3.155 -7.330 1.00 0.00 C ATOM 760 O GLU A 46 10.878 -2.644 -7.917 1.00 0.00 O ATOM 761 CB GLU A 46 13.630 -1.450 -7.027 1.00 0.00 C ATOM 762 CG GLU A 46 15.113 -1.108 -7.073 1.00 0.00 C ATOM 763 CD GLU A 46 15.601 -0.776 -8.466 1.00 0.00 C ATOM 764 OE1 GLU A 46 15.159 0.251 -9.019 1.00 0.00 O ATOM 765 OE2 GLU A 46 16.431 -1.538 -9.009 1.00 0.00 O ATOM 0 H GLU A 46 13.605 -1.756 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 46 13.952 -3.541 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.070 -0.643 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.312 -1.490 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.305 -0.260 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.686 -1.950 -6.684 1.00 0.00 H new ATOM 772 N PRO A 47 11.660 -4.054 -6.344 1.00 0.00 N ATOM 773 CA PRO A 47 10.330 -4.476 -5.870 1.00 0.00 C ATOM 774 C PRO A 47 9.511 -3.306 -5.325 1.00 0.00 C ATOM 775 O PRO A 47 8.324 -3.441 -5.033 1.00 0.00 O ATOM 776 CB PRO A 47 10.645 -5.474 -4.750 1.00 0.00 C ATOM 777 CG PRO A 47 12.039 -5.928 -5.017 1.00 0.00 C ATOM 778 CD PRO A 47 12.743 -4.751 -5.628 1.00 0.00 C ATOM 0 HA PRO A 47 9.728 -4.897 -6.675 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.564 -5.005 -3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.948 -6.312 -4.761 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.531 -6.243 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.049 -6.783 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.200 -4.115 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.539 -5.063 -6.304 1.00 0.00 H new ATOM 786 N LEU A 48 10.162 -2.156 -5.194 1.00 0.00 N ATOM 787 CA LEU A 48 9.510 -0.936 -4.742 1.00 0.00 C ATOM 788 C LEU A 48 8.558 -0.415 -5.815 1.00 0.00 C ATOM 789 O LEU A 48 7.588 0.277 -5.510 1.00 0.00 O ATOM 790 CB LEU A 48 10.560 0.133 -4.428 1.00 0.00 C ATOM 791 CG LEU A 48 11.683 -0.308 -3.490 1.00 0.00 C ATOM 792 CD1 LEU A 48 12.694 0.813 -3.312 1.00 0.00 C ATOM 793 CD2 LEU A 48 11.119 -0.738 -2.146 1.00 0.00 C ATOM 0 H LEU A 48 11.155 -2.045 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 48 8.941 -1.161 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.003 0.469 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.057 0.993 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 48 12.190 -1.163 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.488 0.484 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.122 1.074 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.198 1.686 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.934 -1.048 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.586 0.097 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.432 -1.572 -2.290 1.00 0.00 H new ATOM 805 N GLU A 49 8.838 -0.784 -7.065 1.00 0.00 N ATOM 806 CA GLU A 49 8.068 -0.316 -8.214 1.00 0.00 C ATOM 807 C GLU A 49 6.687 -0.975 -8.246 1.00 0.00 C ATOM 808 O GLU A 49 5.852 -0.663 -9.091 1.00 0.00 O ATOM 809 CB GLU A 49 8.830 -0.626 -9.507 1.00 0.00 C ATOM 810 CG GLU A 49 8.405 0.222 -10.695 1.00 0.00 C ATOM 811 CD GLU A 49 8.821 1.674 -10.556 1.00 0.00 C ATOM 812 OE1 GLU A 49 8.180 2.414 -9.785 1.00 0.00 O ATOM 813 OE2 GLU A 49 9.799 2.081 -11.213 1.00 0.00 O ATOM 0 H GLU A 49 9.603 -1.414 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 49 7.930 0.762 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.896 -0.480 -9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.689 -1.678 -9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.840 -0.191 -11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.322 0.168 -10.806 1.00 0.00 H new ATOM 820 N TRP A 50 6.463 -1.905 -7.328 1.00 0.00 N ATOM 821 CA TRP A 50 5.164 -2.538 -7.187 1.00 0.00 C ATOM 822 C TRP A 50 4.319 -1.773 -6.173 1.00 0.00 C ATOM 823 O TRP A 50 3.133 -1.528 -6.396 1.00 0.00 O ATOM 824 CB TRP A 50 5.327 -3.995 -6.755 1.00 0.00 C ATOM 825 CG TRP A 50 4.030 -4.743 -6.688 1.00 0.00 C ATOM 826 CD1 TRP A 50 3.369 -5.331 -7.727 1.00 0.00 C ATOM 827 CD2 TRP A 50 3.235 -4.983 -5.519 1.00 0.00 C ATOM 828 NE1 TRP A 50 2.215 -5.924 -7.279 1.00 0.00 N ATOM 829 CE2 TRP A 50 2.111 -5.725 -5.925 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.369 -4.646 -4.171 1.00 0.00 C ATOM 831 CZ2 TRP A 50 1.126 -6.133 -5.031 1.00 0.00 C ATOM 832 CZ3 TRP A 50 2.391 -5.050 -3.285 1.00 0.00 C ATOM 833 CH2 TRP A 50 1.283 -5.788 -3.717 1.00 0.00 C ATOM 0 H TRP A 50 7.168 -2.237 -6.669 1.00 0.00 H new ATOM 0 HA TRP A 50 4.656 -2.520 -8.151 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.994 -4.501 -7.453 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.807 -4.025 -5.777 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.705 -5.330 -8.753 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.544 -6.430 -7.858 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.222 -4.080 -3.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.269 -6.701 -5.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.482 -4.792 -2.240 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.537 -6.091 -2.998 1.00 0.00 H new ATOM 844 N LEU A 51 4.946 -1.403 -5.058 1.00 0.00 N ATOM 845 CA LEU A 51 4.290 -0.612 -4.021 1.00 0.00 C ATOM 846 C LEU A 51 3.779 0.698 -4.606 1.00 0.00 C ATOM 847 O LEU A 51 2.602 1.038 -4.484 1.00 0.00 O ATOM 848 CB LEU A 51 5.273 -0.324 -2.883 1.00 0.00 C ATOM 849 CG LEU A 51 4.720 0.525 -1.738 1.00 0.00 C ATOM 850 CD1 LEU A 51 3.559 -0.185 -1.062 1.00 0.00 C ATOM 851 CD2 LEU A 51 5.817 0.839 -0.732 1.00 0.00 C ATOM 0 H LEU A 51 5.916 -1.641 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 51 3.445 -1.178 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.618 -1.274 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.146 0.180 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 51 4.353 1.465 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.178 0.433 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.766 -0.359 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.900 -1.140 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.407 1.444 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.214 -0.091 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.618 1.389 -1.227 1.00 0.00 H new ATOM 863 N GLN A 52 4.676 1.422 -5.249 1.00 0.00 N ATOM 864 CA GLN A 52 4.314 2.644 -5.938 1.00 0.00 C ATOM 865 C GLN A 52 3.809 2.295 -7.329 1.00 0.00 C ATOM 866 O GLN A 52 4.144 1.236 -7.851 1.00 0.00 O ATOM 867 CB GLN A 52 5.526 3.578 -6.021 1.00 0.00 C ATOM 868 CG GLN A 52 6.696 2.988 -6.797 1.00 0.00 C ATOM 869 CD GLN A 52 7.995 3.740 -6.581 1.00 0.00 C ATOM 870 OE1 GLN A 52 8.232 4.311 -5.515 1.00 0.00 O ATOM 871 NE2 GLN A 52 8.851 3.737 -7.590 1.00 0.00 N ATOM 0 H GLN A 52 5.666 1.182 -5.308 1.00 0.00 H new ATOM 0 HA GLN A 52 3.526 3.159 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.223 4.513 -6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.856 3.822 -5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.832 1.948 -6.501 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.456 2.988 -7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.617 3.252 -8.456 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.745 4.219 -7.502 1.00 0.00 H new ATOM 880 N TRP A 53 2.973 3.162 -7.899 1.00 0.00 N ATOM 881 CA TRP A 53 2.478 2.995 -9.272 1.00 0.00 C ATOM 882 C TRP A 53 1.448 1.863 -9.396 1.00 0.00 C ATOM 883 O TRP A 53 0.352 2.081 -9.906 1.00 0.00 O ATOM 884 CB TRP A 53 3.653 2.771 -10.239 1.00 0.00 C ATOM 885 CG TRP A 53 3.246 2.462 -11.649 1.00 0.00 C ATOM 886 CD1 TRP A 53 3.311 1.248 -12.268 1.00 0.00 C ATOM 887 CD2 TRP A 53 2.713 3.377 -12.615 1.00 0.00 C ATOM 888 NE1 TRP A 53 2.858 1.349 -13.558 1.00 0.00 N ATOM 889 CE2 TRP A 53 2.482 2.645 -13.795 1.00 0.00 C ATOM 890 CE3 TRP A 53 2.406 4.741 -12.596 1.00 0.00 C ATOM 891 CZ2 TRP A 53 1.963 3.232 -14.945 1.00 0.00 C ATOM 892 CZ3 TRP A 53 1.891 5.321 -13.738 1.00 0.00 C ATOM 893 CH2 TRP A 53 1.673 4.567 -14.898 1.00 0.00 C ATOM 0 H TRP A 53 2.620 3.996 -7.429 1.00 0.00 H new ATOM 0 HA TRP A 53 1.963 3.917 -9.542 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.280 3.663 -10.242 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.266 1.952 -9.863 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.668 0.338 -11.808 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.809 0.584 -14.231 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.569 5.329 -11.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.795 2.654 -15.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.652 6.374 -13.737 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.267 5.051 -15.774 1.00 0.00 H new ATOM 904 N VAL A 54 1.793 0.668 -8.932 1.00 0.00 N ATOM 905 CA VAL A 54 0.947 -0.504 -9.134 1.00 0.00 C ATOM 906 C VAL A 54 -0.056 -0.708 -7.996 1.00 0.00 C ATOM 907 O VAL A 54 -1.265 -0.607 -8.204 1.00 0.00 O ATOM 908 CB VAL A 54 1.796 -1.787 -9.287 1.00 0.00 C ATOM 909 CG1 VAL A 54 0.910 -2.993 -9.564 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.832 -1.617 -10.389 1.00 0.00 C ATOM 0 H VAL A 54 2.652 0.484 -8.414 1.00 0.00 H new ATOM 0 HA VAL A 54 0.391 -0.316 -10.053 1.00 0.00 H new ATOM 0 HB VAL A 54 2.321 -1.961 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.530 -3.884 -9.668 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.213 -3.130 -8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.352 -2.830 -10.486 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.419 -2.531 -10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.328 -1.413 -11.334 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.492 -0.785 -10.143 1.00 0.00 H new ATOM 920 N LEU A 55 0.454 -0.982 -6.799 1.00 0.00 N ATOM 921 CA LEU A 55 -0.376 -1.413 -5.670 1.00 0.00 C ATOM 922 C LEU A 55 -1.540 -0.463 -5.378 1.00 0.00 C ATOM 923 O LEU A 55 -2.664 -0.917 -5.149 1.00 0.00 O ATOM 924 CB LEU A 55 0.478 -1.576 -4.409 1.00 0.00 C ATOM 925 CG LEU A 55 -0.284 -2.027 -3.157 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.958 -3.365 -3.394 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.648 -2.104 -1.959 1.00 0.00 C ATOM 0 H LEU A 55 1.448 -0.913 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.807 -2.372 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.267 -2.300 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.966 -0.625 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.055 -1.287 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.493 -3.667 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.661 -3.276 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.204 -4.114 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.087 -2.426 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.444 -2.820 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.082 -1.122 -1.772 1.00 0.00 H new ATOM 939 N ILE A 56 -1.278 0.840 -5.381 1.00 0.00 N ATOM 940 CA ILE A 56 -2.295 1.819 -4.994 1.00 0.00 C ATOM 941 C ILE A 56 -3.561 1.711 -5.865 1.00 0.00 C ATOM 942 O ILE A 56 -4.630 1.374 -5.348 1.00 0.00 O ATOM 943 CB ILE A 56 -1.748 3.265 -5.018 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.500 3.372 -4.134 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.818 4.246 -4.553 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.114 4.755 -4.115 1.00 0.00 C ATOM 0 H ILE A 56 -0.379 1.243 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.571 1.581 -3.967 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.472 3.518 -6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.761 3.086 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.245 2.658 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.417 5.259 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.682 4.183 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.121 3.998 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.992 4.754 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.407 5.037 -5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.615 5.471 -3.736 1.00 0.00 H new ATOM 958 N PRO A 57 -3.481 1.973 -7.191 1.00 0.00 N ATOM 959 CA PRO A 57 -4.652 1.875 -8.073 1.00 0.00 C ATOM 960 C PRO A 57 -5.169 0.443 -8.197 1.00 0.00 C ATOM 961 O PRO A 57 -6.346 0.217 -8.483 1.00 0.00 O ATOM 962 CB PRO A 57 -4.140 2.379 -9.424 1.00 0.00 C ATOM 963 CG PRO A 57 -2.665 2.197 -9.371 1.00 0.00 C ATOM 964 CD PRO A 57 -2.275 2.393 -7.933 1.00 0.00 C ATOM 0 HA PRO A 57 -5.494 2.450 -7.687 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.578 1.814 -10.247 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.403 3.425 -9.580 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.382 1.204 -9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.160 2.917 -10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.408 1.789 -7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.016 3.431 -7.725 1.00 0.00 H new ATOM 972 N ARG A 58 -4.286 -0.519 -7.962 1.00 0.00 N ATOM 973 CA ARG A 58 -4.652 -1.927 -8.022 1.00 0.00 C ATOM 974 C ARG A 58 -5.640 -2.260 -6.908 1.00 0.00 C ATOM 975 O ARG A 58 -6.653 -2.921 -7.135 1.00 0.00 O ATOM 976 CB ARG A 58 -3.403 -2.800 -7.892 1.00 0.00 C ATOM 977 CG ARG A 58 -3.614 -4.246 -8.298 1.00 0.00 C ATOM 978 CD ARG A 58 -2.328 -5.043 -8.175 1.00 0.00 C ATOM 979 NE ARG A 58 -2.427 -6.351 -8.820 1.00 0.00 N ATOM 980 CZ ARG A 58 -1.672 -7.403 -8.508 1.00 0.00 C ATOM 981 NH1 ARG A 58 -0.816 -7.337 -7.495 1.00 0.00 N ATOM 982 NH2 ARG A 58 -1.788 -8.528 -9.204 1.00 0.00 N ATOM 0 H ARG A 58 -3.308 -0.348 -7.727 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.124 -2.127 -8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.609 -2.374 -8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.058 -2.771 -6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.384 -4.694 -7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.975 -4.289 -9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.509 -4.480 -8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.084 -5.177 -7.121 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.121 -6.466 -9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.734 -6.478 -6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.240 -8.146 -7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.454 -8.585 -9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.211 -9.336 -8.968 1.00 0.00 H new ATOM 996 N MET A 59 -5.351 -1.777 -5.702 1.00 0.00 N ATOM 997 CA MET A 59 -6.226 -2.019 -4.560 1.00 0.00 C ATOM 998 C MET A 59 -7.500 -1.190 -4.657 1.00 0.00 C ATOM 999 O MET A 59 -8.526 -1.564 -4.095 1.00 0.00 O ATOM 1000 CB MET A 59 -5.504 -1.743 -3.241 1.00 0.00 C ATOM 1001 CG MET A 59 -4.490 -2.814 -2.886 1.00 0.00 C ATOM 1002 SD MET A 59 -5.219 -4.464 -2.873 1.00 0.00 S ATOM 1003 CE MET A 59 -3.800 -5.469 -2.458 1.00 0.00 C ATOM 0 H MET A 59 -4.523 -1.219 -5.492 1.00 0.00 H new ATOM 0 HA MET A 59 -6.505 -3.073 -4.579 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.999 -0.779 -3.304 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.239 -1.666 -2.440 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.669 -2.787 -3.603 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.065 -2.599 -1.906 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.097 -6.517 -2.413 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.029 -5.342 -3.218 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.407 -5.162 -1.489 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.442 -0.076 -5.383 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.646 0.709 -5.659 1.00 0.00 C ATOM 1015 C HIS A 60 -9.678 -0.156 -6.374 1.00 0.00 C ATOM 1016 O HIS A 60 -10.871 -0.079 -6.093 1.00 0.00 O ATOM 1017 CB HIS A 60 -8.329 1.938 -6.518 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.864 3.132 -5.740 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.729 4.039 -5.175 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.621 3.585 -5.458 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -8.042 4.995 -4.585 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.757 4.747 -4.740 1.00 0.00 N ATOM 0 H HIS A 60 -6.585 0.302 -5.788 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.046 1.052 -4.705 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.561 1.671 -7.244 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.220 2.212 -7.083 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.691 3.118 -5.745 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.462 5.841 -4.061 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.992 5.322 -4.386 1.00 0.00 H new ATOM 1031 N ASP A 61 -9.199 -0.999 -7.289 1.00 0.00 N ATOM 1032 CA ASP A 61 -10.069 -1.904 -8.038 1.00 0.00 C ATOM 1033 C ASP A 61 -10.662 -2.960 -7.114 1.00 0.00 C ATOM 1034 O ASP A 61 -11.842 -3.292 -7.212 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.295 -2.580 -9.174 1.00 0.00 C ATOM 1036 CG ASP A 61 -10.182 -3.462 -10.033 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -10.813 -2.937 -10.973 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -10.244 -4.683 -9.787 1.00 0.00 O ATOM 0 H ASP A 61 -8.211 -1.073 -7.529 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.880 -1.316 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.832 -1.817 -9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.488 -3.180 -8.753 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.837 -3.466 -6.204 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.281 -4.452 -5.225 1.00 0.00 C ATOM 1045 C LEU A 62 -11.383 -3.868 -4.347 1.00 0.00 C ATOM 1046 O LEU A 62 -12.411 -4.503 -4.112 1.00 0.00 O ATOM 1047 CB LEU A 62 -9.108 -4.900 -4.348 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.430 -6.008 -3.342 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -9.652 -7.335 -4.052 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.318 -6.132 -2.313 1.00 0.00 C ATOM 0 H LEU A 62 -8.853 -3.208 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.673 -5.315 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.302 -5.243 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.732 -4.034 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.352 -5.742 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.879 -8.107 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.485 -7.240 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.751 -7.610 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.563 -6.924 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.382 -6.372 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.211 -5.188 -1.778 1.00 0.00 H new ATOM 1062 N LEU A 63 -11.154 -2.648 -3.875 1.00 0.00 N ATOM 1063 CA LEU A 63 -12.118 -1.937 -3.043 1.00 0.00 C ATOM 1064 C LEU A 63 -13.410 -1.652 -3.808 1.00 0.00 C ATOM 1065 O LEU A 63 -14.492 -1.610 -3.219 1.00 0.00 O ATOM 1066 CB LEU A 63 -11.502 -0.634 -2.532 1.00 0.00 C ATOM 1067 CG LEU A 63 -10.233 -0.811 -1.694 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -9.596 0.535 -1.390 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.542 -1.557 -0.405 1.00 0.00 C ATOM 0 H LEU A 63 -10.298 -2.125 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.370 -2.572 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.271 0.002 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.245 -0.107 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.524 -1.402 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.696 0.385 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.334 1.033 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.301 1.154 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.627 -1.673 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.272 -0.993 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.948 -2.540 -0.642 1.00 0.00 H new ATOM 1081 N ASP A 64 -13.296 -1.457 -5.121 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.472 -1.278 -5.978 1.00 0.00 C ATOM 1083 C ASP A 64 -15.333 -2.532 -5.976 1.00 0.00 C ATOM 1084 O ASP A 64 -16.547 -2.470 -6.168 1.00 0.00 O ATOM 1085 CB ASP A 64 -14.076 -0.949 -7.422 1.00 0.00 C ATOM 1086 CG ASP A 64 -13.687 0.500 -7.619 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -14.230 1.369 -6.905 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -12.850 0.782 -8.500 1.00 0.00 O ATOM 0 H ASP A 64 -12.405 -1.419 -5.616 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.038 -0.440 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.242 -1.586 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.909 -1.188 -8.084 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.694 -3.670 -5.759 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.387 -4.953 -5.723 1.00 0.00 C ATOM 1095 C ASN A 65 -15.798 -5.299 -4.299 1.00 0.00 C ATOM 1096 O ASN A 65 -16.349 -6.373 -4.048 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.492 -6.071 -6.267 1.00 0.00 C ATOM 1098 CG ASN A 65 -14.294 -6.028 -7.773 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -14.178 -7.072 -8.412 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -14.238 -4.839 -8.350 1.00 0.00 N ATOM 0 H ASN A 65 -13.688 -3.734 -5.604 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.275 -4.866 -6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.518 -6.011 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.925 -7.034 -5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.094 -4.767 -9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.338 -3.994 -7.788 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.526 -4.374 -3.379 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.709 -4.595 -1.945 1.00 0.00 C ATOM 1109 C LYS A 66 -14.771 -5.691 -1.448 1.00 0.00 C ATOM 1110 O LYS A 66 -13.694 -5.395 -0.927 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.166 -4.934 -1.593 1.00 0.00 C ATOM 1112 CG LYS A 66 -18.132 -3.779 -1.796 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.525 -4.130 -1.295 1.00 0.00 C ATOM 1114 CE LYS A 66 -20.482 -2.954 -1.419 1.00 0.00 C ATOM 1115 NZ LYS A 66 -20.781 -2.620 -2.836 1.00 0.00 N ATOM 0 H LYS A 66 -15.171 -3.446 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.462 -3.661 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.490 -5.778 -2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.213 -5.256 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.765 -2.898 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.178 -3.522 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.913 -4.976 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.468 -4.444 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.411 -3.187 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.051 -2.083 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.488 -1.858 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.910 -2.306 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.154 -3.462 -3.320 1.00 0.00 H new ATOM 1129 N GLN A 67 -15.191 -6.945 -1.628 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.392 -8.121 -1.269 1.00 0.00 C ATOM 1131 C GLN A 67 -14.185 -8.253 0.239 1.00 0.00 C ATOM 1132 O GLN A 67 -14.005 -7.269 0.951 1.00 0.00 O ATOM 1133 CB GLN A 67 -13.040 -8.091 -1.989 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.146 -8.348 -3.482 1.00 0.00 C ATOM 1135 CD GLN A 67 -13.608 -9.758 -3.792 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -13.325 -10.694 -3.041 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -14.331 -9.920 -4.885 1.00 0.00 N ATOM 0 H GLN A 67 -16.100 -7.176 -2.029 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.955 -8.996 -1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.572 -7.120 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.383 -8.839 -1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.843 -7.635 -3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.176 -8.175 -3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.543 -9.119 -5.480 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.678 -10.846 -5.135 1.00 0.00 H new ATOM 1146 N PRO A 68 -14.212 -9.493 0.752 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.924 -9.774 2.162 1.00 0.00 C ATOM 1148 C PRO A 68 -12.449 -9.552 2.500 1.00 0.00 C ATOM 1149 O PRO A 68 -12.034 -9.726 3.648 1.00 0.00 O ATOM 1150 CB PRO A 68 -14.298 -11.255 2.327 1.00 0.00 C ATOM 1151 CG PRO A 68 -15.065 -11.617 1.099 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.557 -10.716 0.014 1.00 0.00 C ATOM 0 HA PRO A 68 -14.477 -9.113 2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.407 -11.875 2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.898 -11.410 3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.913 -12.665 0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.135 -11.478 1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.692 -11.141 -0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.315 -10.530 -0.747 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.674 -9.184 1.468 1.00 0.00 N ATOM 1161 CA LEU A 69 -10.256 -8.835 1.596 1.00 0.00 C ATOM 1162 C LEU A 69 -9.389 -10.059 1.878 1.00 0.00 C ATOM 1163 O LEU A 69 -9.777 -10.952 2.631 1.00 0.00 O ATOM 1164 CB LEU A 69 -10.038 -7.776 2.687 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.703 -6.421 2.433 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -10.461 -5.483 3.605 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -10.186 -5.801 1.142 1.00 0.00 C ATOM 0 H LEU A 69 -12.021 -9.121 0.511 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.950 -8.418 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.409 -8.172 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.966 -7.618 2.807 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.776 -6.581 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.940 -4.524 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.880 -5.919 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.389 -5.333 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.672 -4.839 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.108 -5.656 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.408 -6.464 0.306 1.00 0.00 H new ATOM 1179 N PRO A 70 -8.212 -10.133 1.238 1.00 0.00 N ATOM 1180 CA PRO A 70 -7.228 -11.173 1.529 1.00 0.00 C ATOM 1181 C PRO A 70 -6.648 -10.999 2.929 1.00 0.00 C ATOM 1182 O PRO A 70 -5.841 -10.101 3.175 1.00 0.00 O ATOM 1183 CB PRO A 70 -6.153 -10.971 0.456 1.00 0.00 C ATOM 1184 CG PRO A 70 -6.299 -9.554 0.022 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.756 -9.215 0.178 1.00 0.00 C ATOM 0 HA PRO A 70 -7.655 -12.176 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.157 -11.160 0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.297 -11.656 -0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.679 -8.895 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.979 -9.429 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.897 -8.172 0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.306 -9.370 -0.751 1.00 0.00 H new ATOM 1193 N GLY A 71 -7.073 -11.862 3.840 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.718 -11.715 5.238 1.00 0.00 C ATOM 1195 C GLY A 71 -5.237 -11.892 5.517 1.00 0.00 C ATOM 1196 O GLY A 71 -4.773 -11.575 6.612 1.00 0.00 O ATOM 0 H GLY A 71 -7.663 -12.668 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.027 -10.727 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.278 -12.444 5.824 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.492 -12.400 4.547 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.072 -12.642 4.744 1.00 0.00 C ATOM 1202 C ALA A 72 -2.220 -11.765 3.836 1.00 0.00 C ATOM 1203 O ALA A 72 -1.146 -12.175 3.386 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.755 -14.114 4.524 1.00 0.00 C ATOM 0 H ALA A 72 -4.844 -12.651 3.623 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.827 -12.378 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.689 -14.283 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.322 -14.718 5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.027 -14.397 3.507 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.692 -10.558 3.576 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.913 -9.587 2.827 1.00 0.00 C ATOM 1212 C PHE A 73 -0.932 -8.891 3.765 1.00 0.00 C ATOM 1213 O PHE A 73 -1.340 -8.275 4.748 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.837 -8.566 2.159 1.00 0.00 C ATOM 1215 CG PHE A 73 -2.118 -7.560 1.306 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.735 -7.876 0.012 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.830 -6.296 1.796 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -1.079 -6.950 -0.776 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -1.175 -5.366 1.012 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.799 -5.693 -0.275 1.00 0.00 C ATOM 0 H PHE A 73 -3.610 -10.227 3.872 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.353 -10.100 2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.564 -9.096 1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.398 -8.039 2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.952 -8.857 -0.385 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.121 -6.035 2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.785 -7.208 -1.783 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.957 -4.384 1.406 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.287 -4.968 -0.890 1.00 0.00 H new ATOM 1230 N ALA A 74 0.357 -9.019 3.474 1.00 0.00 N ATOM 1231 CA ALA A 74 1.389 -8.413 4.303 1.00 0.00 C ATOM 1232 C ALA A 74 2.617 -8.064 3.472 1.00 0.00 C ATOM 1233 O ALA A 74 3.411 -8.940 3.124 1.00 0.00 O ATOM 1234 CB ALA A 74 1.767 -9.341 5.450 1.00 0.00 C ATOM 0 H ALA A 74 0.711 -9.537 2.670 1.00 0.00 H new ATOM 0 HA ALA A 74 0.989 -7.490 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.540 -8.871 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.889 -9.535 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.144 -10.281 5.048 1.00 0.00 H new ATOM 1240 N VAL A 75 2.765 -6.790 3.144 1.00 0.00 N ATOM 1241 CA VAL A 75 3.888 -6.342 2.331 1.00 0.00 C ATOM 1242 C VAL A 75 5.004 -5.756 3.186 1.00 0.00 C ATOM 1243 O VAL A 75 6.170 -5.774 2.784 1.00 0.00 O ATOM 1244 CB VAL A 75 3.462 -5.302 1.273 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.540 -5.936 0.246 1.00 0.00 C ATOM 1246 CG2 VAL A 75 2.795 -4.097 1.925 1.00 0.00 C ATOM 0 H VAL A 75 2.124 -6.049 3.427 1.00 0.00 H new ATOM 0 HA VAL A 75 4.259 -7.229 1.818 1.00 0.00 H new ATOM 0 HB VAL A 75 4.359 -4.951 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.249 -5.189 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.059 -6.755 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.650 -6.319 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.505 -3.381 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.909 -4.422 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.493 -3.625 2.616 1.00 0.00 H new ATOM 1256 N ALA A 76 4.655 -5.256 4.370 1.00 0.00 N ATOM 1257 CA ALA A 76 5.631 -4.615 5.249 1.00 0.00 C ATOM 1258 C ALA A 76 6.835 -5.519 5.542 1.00 0.00 C ATOM 1259 O ALA A 76 7.972 -5.111 5.302 1.00 0.00 O ATOM 1260 CB ALA A 76 4.975 -4.149 6.541 1.00 0.00 C ATOM 0 H ALA A 76 3.706 -5.282 4.742 1.00 0.00 H new ATOM 0 HA ALA A 76 6.011 -3.742 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.722 -3.675 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.187 -3.432 6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.546 -5.006 7.061 1.00 0.00 H new ATOM 1266 N PRO A 77 6.625 -6.761 6.042 1.00 0.00 N ATOM 1267 CA PRO A 77 7.731 -7.675 6.359 1.00 0.00 C ATOM 1268 C PRO A 77 8.620 -7.955 5.150 1.00 0.00 C ATOM 1269 O PRO A 77 9.826 -8.171 5.290 1.00 0.00 O ATOM 1270 CB PRO A 77 7.033 -8.962 6.824 1.00 0.00 C ATOM 1271 CG PRO A 77 5.627 -8.842 6.347 1.00 0.00 C ATOM 1272 CD PRO A 77 5.320 -7.375 6.358 1.00 0.00 C ATOM 0 HA PRO A 77 8.397 -7.250 7.110 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.516 -9.845 6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.073 -9.061 7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.516 -9.258 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.945 -9.390 6.997 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.562 -7.116 5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.944 -7.048 7.328 1.00 0.00 H new ATOM 1280 N TYR A 78 8.027 -7.933 3.962 1.00 0.00 N ATOM 1281 CA TYR A 78 8.774 -8.187 2.741 1.00 0.00 C ATOM 1282 C TYR A 78 9.624 -6.976 2.376 1.00 0.00 C ATOM 1283 O TYR A 78 10.783 -7.115 1.983 1.00 0.00 O ATOM 1284 CB TYR A 78 7.838 -8.537 1.581 1.00 0.00 C ATOM 1285 CG TYR A 78 8.577 -8.803 0.286 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.330 -9.958 0.121 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.540 -7.892 -0.763 1.00 0.00 C ATOM 1288 CE1 TYR A 78 10.025 -10.199 -1.049 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.236 -8.123 -1.936 1.00 0.00 C ATOM 1290 CZ TYR A 78 9.973 -9.279 -2.074 1.00 0.00 C ATOM 1291 OH TYR A 78 10.675 -9.507 -3.233 1.00 0.00 O ATOM 0 H TYR A 78 7.035 -7.742 3.821 1.00 0.00 H new ATOM 0 HA TYR A 78 9.428 -9.040 2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.252 -9.417 1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.134 -7.719 1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.373 -10.681 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.958 -6.988 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.606 -11.103 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.202 -7.401 -2.739 1.00 0.00 H new ATOM 0 HH TYR A 78 10.747 -10.472 -3.388 1.00 0.00 H new ATOM 1301 N TYR A 79 9.057 -5.786 2.523 1.00 0.00 N ATOM 1302 CA TYR A 79 9.772 -4.565 2.186 1.00 0.00 C ATOM 1303 C TYR A 79 10.852 -4.247 3.215 1.00 0.00 C ATOM 1304 O TYR A 79 11.707 -3.396 2.981 1.00 0.00 O ATOM 1305 CB TYR A 79 8.809 -3.391 2.013 1.00 0.00 C ATOM 1306 CG TYR A 79 8.143 -3.378 0.655 1.00 0.00 C ATOM 1307 CD1 TYR A 79 8.799 -2.849 -0.446 1.00 0.00 C ATOM 1308 CD2 TYR A 79 6.871 -3.901 0.469 1.00 0.00 C ATOM 1309 CE1 TYR A 79 8.211 -2.844 -1.695 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.273 -3.898 -0.778 1.00 0.00 C ATOM 1311 CZ TYR A 79 6.948 -3.368 -1.857 1.00 0.00 C ATOM 1312 OH TYR A 79 6.362 -3.365 -3.100 1.00 0.00 O ATOM 0 H TYR A 79 8.109 -5.642 2.871 1.00 0.00 H new ATOM 0 HA TYR A 79 10.270 -4.730 1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.044 -3.437 2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.352 -2.457 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.788 -2.433 -0.324 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.339 -4.317 1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.739 -2.431 -2.541 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.282 -4.309 -0.906 1.00 0.00 H new ATOM 0 HH TYR A 79 7.055 -3.281 -3.788 1.00 0.00 H new ATOM 1322 N GLU A 80 10.822 -4.944 4.345 1.00 0.00 N ATOM 1323 CA GLU A 80 11.913 -4.865 5.309 1.00 0.00 C ATOM 1324 C GLU A 80 13.153 -5.561 4.751 1.00 0.00 C ATOM 1325 O GLU A 80 14.266 -5.367 5.245 1.00 0.00 O ATOM 1326 CB GLU A 80 11.513 -5.495 6.641 1.00 0.00 C ATOM 1327 CG GLU A 80 10.381 -4.770 7.349 1.00 0.00 C ATOM 1328 CD GLU A 80 10.062 -5.370 8.700 1.00 0.00 C ATOM 1329 OE1 GLU A 80 9.249 -6.313 8.761 1.00 0.00 O ATOM 1330 OE2 GLU A 80 10.628 -4.908 9.710 1.00 0.00 O ATOM 0 H GLU A 80 10.060 -5.566 4.615 1.00 0.00 H new ATOM 0 HA GLU A 80 12.139 -3.813 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.217 -6.530 6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.383 -5.518 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.649 -3.721 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.489 -4.798 6.723 1.00 0.00 H new ATOM 1337 N MET A 81 12.946 -6.386 3.729 1.00 0.00 N ATOM 1338 CA MET A 81 14.045 -7.044 3.033 1.00 0.00 C ATOM 1339 C MET A 81 14.299 -6.364 1.698 1.00 0.00 C ATOM 1340 O MET A 81 15.443 -6.208 1.277 1.00 0.00 O ATOM 1341 CB MET A 81 13.738 -8.521 2.789 1.00 0.00 C ATOM 1342 CG MET A 81 13.415 -9.305 4.046 1.00 0.00 C ATOM 1343 SD MET A 81 13.139 -11.053 3.704 1.00 0.00 S ATOM 1344 CE MET A 81 11.847 -10.944 2.468 1.00 0.00 C ATOM 0 H MET A 81 12.022 -6.615 3.363 1.00 0.00 H new ATOM 0 HA MET A 81 14.931 -6.968 3.664 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.896 -8.597 2.101 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.594 -8.982 2.297 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.234 -9.200 4.758 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.527 -8.884 4.517 1.00 0.00 H new ATOM 0 HE1 MET A 81 11.168 -11.790 2.576 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.293 -10.015 2.602 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.293 -10.961 1.473 1.00 0.00 H new ATOM 1354 N ALA A 82 13.214 -5.969 1.035 1.00 0.00 N ATOM 1355 CA ALA A 82 13.305 -5.283 -0.249 1.00 0.00 C ATOM 1356 C ALA A 82 14.063 -3.967 -0.106 1.00 0.00 C ATOM 1357 O ALA A 82 14.734 -3.516 -1.033 1.00 0.00 O ATOM 1358 CB ALA A 82 11.916 -5.041 -0.820 1.00 0.00 C ATOM 0 H ALA A 82 12.261 -6.113 1.368 1.00 0.00 H new ATOM 0 HA ALA A 82 13.857 -5.920 -0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.001 -4.528 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.410 -5.996 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.341 -4.425 -0.129 1.00 0.00 H new ATOM 1364 N LEU A 83 13.927 -3.351 1.060 1.00 0.00 N ATOM 1365 CA LEU A 83 14.695 -2.166 1.403 1.00 0.00 C ATOM 1366 C LEU A 83 15.793 -2.531 2.390 1.00 0.00 C ATOM 1367 O LEU A 83 15.641 -3.469 3.178 1.00 0.00 O ATOM 1368 CB LEU A 83 13.784 -1.094 2.005 1.00 0.00 C ATOM 1369 CG LEU A 83 12.897 -0.356 1.003 1.00 0.00 C ATOM 1370 CD1 LEU A 83 11.847 0.470 1.727 1.00 0.00 C ATOM 1371 CD2 LEU A 83 13.746 0.533 0.108 1.00 0.00 C ATOM 0 H LEU A 83 13.284 -3.658 1.790 1.00 0.00 H new ATOM 0 HA LEU A 83 15.147 -1.767 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 83 13.146 -1.562 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 83 14.404 -0.363 2.524 1.00 0.00 H new ATOM 0 HG LEU A 83 12.386 -1.092 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.225 0.988 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.224 -0.186 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.338 1.201 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 83 13.104 1.054 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.278 1.262 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.466 -0.079 -0.435 1.00 0.00 H new ATOM 1383 N ALA A 84 16.893 -1.796 2.348 1.00 0.00 N ATOM 1384 CA ALA A 84 18.018 -2.060 3.231 1.00 0.00 C ATOM 1385 C ALA A 84 17.650 -1.759 4.679 1.00 0.00 C ATOM 1386 O ALA A 84 16.724 -0.994 4.946 1.00 0.00 O ATOM 1387 CB ALA A 84 19.228 -1.243 2.805 1.00 0.00 C ATOM 0 H ALA A 84 17.031 -1.011 1.711 1.00 0.00 H new ATOM 0 HA ALA A 84 18.271 -3.118 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.062 -1.451 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.507 -1.510 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.984 -0.182 2.848 1.00 0.00 H new ATOM 1393 N THR A 85 18.381 -2.370 5.605 1.00 0.00 N ATOM 1394 CA THR A 85 18.133 -2.204 7.030 1.00 0.00 C ATOM 1395 C THR A 85 18.375 -0.767 7.487 1.00 0.00 C ATOM 1396 O THR A 85 17.901 -0.348 8.545 1.00 0.00 O ATOM 1397 CB THR A 85 19.034 -3.157 7.830 1.00 0.00 C ATOM 1398 OG1 THR A 85 20.369 -3.127 7.298 1.00 0.00 O ATOM 1399 CG2 THR A 85 18.497 -4.578 7.781 1.00 0.00 C ATOM 0 H THR A 85 19.160 -2.992 5.388 1.00 0.00 H new ATOM 0 HA THR A 85 17.085 -2.441 7.212 1.00 0.00 H new ATOM 0 HB THR A 85 19.046 -2.827 8.869 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.940 -3.735 7.813 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.152 -5.234 8.354 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.494 -4.603 8.207 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.460 -4.917 6.746 1.00 0.00 H new ATOM 1407 N ASP A 86 19.121 -0.023 6.684 1.00 0.00 N ATOM 1408 CA ASP A 86 19.424 1.364 6.970 1.00 0.00 C ATOM 1409 C ASP A 86 18.297 2.262 6.486 1.00 0.00 C ATOM 1410 O ASP A 86 17.189 1.790 6.227 1.00 0.00 O ATOM 1411 CB ASP A 86 20.721 1.754 6.268 1.00 0.00 C ATOM 1412 CG ASP A 86 21.898 0.909 6.697 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.087 -0.186 6.124 1.00 0.00 O ATOM 1414 OD2 ASP A 86 22.648 1.343 7.592 1.00 0.00 O ATOM 0 H ASP A 86 19.532 -0.368 5.816 1.00 0.00 H new ATOM 0 HA ASP A 86 19.535 1.487 8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 86 20.587 1.661 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 86 20.939 2.802 6.473 1.00 0.00 H new ATOM 1419 N HIS A 87 18.592 3.554 6.365 1.00 0.00 N ATOM 1420 CA HIS A 87 17.640 4.529 5.844 1.00 0.00 C ATOM 1421 C HIS A 87 16.434 4.647 6.777 1.00 0.00 C ATOM 1422 O HIS A 87 15.403 4.024 6.549 1.00 0.00 O ATOM 1423 CB HIS A 87 17.208 4.128 4.425 1.00 0.00 C ATOM 1424 CG HIS A 87 16.617 5.234 3.611 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.281 6.407 3.348 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.433 5.322 2.960 1.00 0.00 C ATOM 1427 CE1 HIS A 87 16.538 7.168 2.571 1.00 0.00 C ATOM 1428 NE2 HIS A 87 15.407 6.535 2.314 1.00 0.00 N ATOM 0 H HIS A 87 19.494 3.953 6.624 1.00 0.00 H new ATOM 0 HA HIS A 87 18.119 5.507 5.794 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.074 3.730 3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.480 3.320 4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.652 4.576 2.950 1.00 0.00 H new ATOM 0 HE1 HIS A 87 16.808 8.147 2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 87 14.645 6.887 1.735 1.00 0.00 H new ATOM 1437 N PRO A 88 16.562 5.458 7.845 1.00 0.00 N ATOM 1438 CA PRO A 88 15.527 5.599 8.890 1.00 0.00 C ATOM 1439 C PRO A 88 14.157 5.982 8.332 1.00 0.00 C ATOM 1440 O PRO A 88 13.125 5.671 8.928 1.00 0.00 O ATOM 1441 CB PRO A 88 16.071 6.718 9.782 1.00 0.00 C ATOM 1442 CG PRO A 88 17.544 6.683 9.572 1.00 0.00 C ATOM 1443 CD PRO A 88 17.737 6.299 8.133 1.00 0.00 C ATOM 0 HA PRO A 88 15.358 4.657 9.411 1.00 0.00 H new ATOM 0 HB2 PRO A 88 15.654 7.686 9.503 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.816 6.550 10.828 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.993 7.654 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.018 5.961 10.237 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.773 7.174 7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.669 5.753 7.984 1.00 0.00 H new ATOM 1451 N GLN A 89 14.153 6.638 7.173 1.00 0.00 N ATOM 1452 CA GLN A 89 12.912 7.028 6.509 1.00 0.00 C ATOM 1453 C GLN A 89 12.080 5.796 6.144 1.00 0.00 C ATOM 1454 O GLN A 89 10.871 5.890 5.927 1.00 0.00 O ATOM 1455 CB GLN A 89 13.213 7.840 5.249 1.00 0.00 C ATOM 1456 CG GLN A 89 14.010 9.108 5.511 1.00 0.00 C ATOM 1457 CD GLN A 89 14.273 9.897 4.243 1.00 0.00 C ATOM 1458 OE1 GLN A 89 14.370 9.330 3.159 1.00 0.00 O ATOM 1459 NE2 GLN A 89 14.397 11.206 4.371 1.00 0.00 N ATOM 0 H GLN A 89 14.999 6.911 6.673 1.00 0.00 H new ATOM 0 HA GLN A 89 12.339 7.644 7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.765 7.214 4.548 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.273 8.106 4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.469 9.734 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.960 8.847 5.977 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.310 11.639 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.580 11.784 3.550 1.00 0.00 H new ATOM 1468 N ARG A 90 12.739 4.641 6.089 1.00 0.00 N ATOM 1469 CA ARG A 90 12.078 3.384 5.766 1.00 0.00 C ATOM 1470 C ARG A 90 11.039 3.036 6.828 1.00 0.00 C ATOM 1471 O ARG A 90 10.012 2.438 6.523 1.00 0.00 O ATOM 1472 CB ARG A 90 13.111 2.259 5.665 1.00 0.00 C ATOM 1473 CG ARG A 90 12.529 0.917 5.254 1.00 0.00 C ATOM 1474 CD ARG A 90 13.547 -0.202 5.413 1.00 0.00 C ATOM 1475 NE ARG A 90 13.960 -0.363 6.806 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.480 -1.483 7.307 1.00 0.00 C ATOM 1477 NH1 ARG A 90 14.687 -2.538 6.523 1.00 0.00 N ATOM 1478 NH2 ARG A 90 14.799 -1.542 8.592 1.00 0.00 N ATOM 0 H ARG A 90 13.740 4.552 6.266 1.00 0.00 H new ATOM 0 HA ARG A 90 11.573 3.497 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.876 2.547 4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.607 2.148 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.649 0.699 5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.198 0.965 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.120 -1.137 5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.421 0.010 4.797 1.00 0.00 H new ATOM 0 HE ARG A 90 13.843 0.432 7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.447 -2.492 5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.085 -3.392 6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.646 -0.732 9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.197 -2.397 8.980 1.00 0.00 H new ATOM 1492 N ALA A 91 11.306 3.437 8.069 1.00 0.00 N ATOM 1493 CA ALA A 91 10.408 3.149 9.182 1.00 0.00 C ATOM 1494 C ALA A 91 9.031 3.760 8.944 1.00 0.00 C ATOM 1495 O ALA A 91 8.010 3.148 9.251 1.00 0.00 O ATOM 1496 CB ALA A 91 10.996 3.664 10.486 1.00 0.00 C ATOM 0 H ALA A 91 12.140 3.964 8.328 1.00 0.00 H new ATOM 0 HA ALA A 91 10.293 2.067 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.313 3.441 11.306 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.955 3.179 10.670 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.142 4.742 10.419 1.00 0.00 H new ATOM 1502 N LEU A 92 9.013 4.963 8.378 1.00 0.00 N ATOM 1503 CA LEU A 92 7.762 5.649 8.067 1.00 0.00 C ATOM 1504 C LEU A 92 6.969 4.857 7.038 1.00 0.00 C ATOM 1505 O LEU A 92 5.748 4.730 7.136 1.00 0.00 O ATOM 1506 CB LEU A 92 8.045 7.057 7.534 1.00 0.00 C ATOM 1507 CG LEU A 92 8.793 7.982 8.496 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.077 9.319 7.833 1.00 0.00 C ATOM 1509 CD2 LEU A 92 7.994 8.182 9.776 1.00 0.00 C ATOM 0 H LEU A 92 9.852 5.484 8.125 1.00 0.00 H new ATOM 0 HA LEU A 92 7.175 5.729 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.625 6.970 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.097 7.525 7.270 1.00 0.00 H new ATOM 0 HG LEU A 92 9.743 7.514 8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.610 9.965 8.531 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.689 9.162 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.137 9.790 7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.542 8.843 10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.029 8.628 9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.838 7.219 10.262 1.00 0.00 H new ATOM 1521 N ILE A 93 7.680 4.317 6.057 1.00 0.00 N ATOM 1522 CA ILE A 93 7.062 3.509 5.017 1.00 0.00 C ATOM 1523 C ILE A 93 6.584 2.182 5.594 1.00 0.00 C ATOM 1524 O ILE A 93 5.455 1.759 5.349 1.00 0.00 O ATOM 1525 CB ILE A 93 8.044 3.237 3.857 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.588 4.557 3.299 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.362 2.433 2.757 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.627 4.379 2.212 1.00 0.00 C ATOM 0 H ILE A 93 8.690 4.425 5.961 1.00 0.00 H new ATOM 0 HA ILE A 93 6.212 4.069 4.627 1.00 0.00 H new ATOM 0 HB ILE A 93 8.880 2.652 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.758 5.143 2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.024 5.133 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.069 2.251 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.020 1.480 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.508 2.992 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.964 5.357 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.476 3.821 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.190 3.831 1.377 1.00 0.00 H new ATOM 1540 N LEU A 94 7.449 1.539 6.374 1.00 0.00 N ATOM 1541 CA LEU A 94 7.128 0.255 6.989 1.00 0.00 C ATOM 1542 C LEU A 94 5.900 0.367 7.879 1.00 0.00 C ATOM 1543 O LEU A 94 4.958 -0.403 7.738 1.00 0.00 O ATOM 1544 CB LEU A 94 8.309 -0.267 7.807 1.00 0.00 C ATOM 1545 CG LEU A 94 9.567 -0.590 7.003 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.656 -1.114 7.922 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.259 -1.597 5.903 1.00 0.00 C ATOM 0 H LEU A 94 8.381 1.888 6.596 1.00 0.00 H new ATOM 0 HA LEU A 94 6.915 -0.449 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.562 0.475 8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.994 -1.167 8.336 1.00 0.00 H new ATOM 0 HG LEU A 94 9.923 0.326 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.548 -1.341 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.895 -0.358 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.308 -2.020 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.169 -1.813 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.880 -2.517 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.508 -1.183 5.230 1.00 0.00 H new ATOM 1559 N ALA A 95 5.908 1.344 8.780 1.00 0.00 N ATOM 1560 CA ALA A 95 4.792 1.557 9.695 1.00 0.00 C ATOM 1561 C ALA A 95 3.496 1.798 8.927 1.00 0.00 C ATOM 1562 O ALA A 95 2.424 1.341 9.332 1.00 0.00 O ATOM 1563 CB ALA A 95 5.085 2.727 10.620 1.00 0.00 C ATOM 0 H ALA A 95 6.678 2.003 8.896 1.00 0.00 H new ATOM 0 HA ALA A 95 4.667 0.657 10.296 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.244 2.875 11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.984 2.517 11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.237 3.630 10.028 1.00 0.00 H new ATOM 1569 N GLU A 96 3.609 2.503 7.809 1.00 0.00 N ATOM 1570 CA GLU A 96 2.465 2.785 6.958 1.00 0.00 C ATOM 1571 C GLU A 96 1.959 1.495 6.312 1.00 0.00 C ATOM 1572 O GLU A 96 0.753 1.263 6.222 1.00 0.00 O ATOM 1573 CB GLU A 96 2.859 3.806 5.888 1.00 0.00 C ATOM 1574 CG GLU A 96 1.680 4.492 5.225 1.00 0.00 C ATOM 1575 CD GLU A 96 0.772 5.168 6.230 1.00 0.00 C ATOM 1576 OE1 GLU A 96 1.241 6.076 6.947 1.00 0.00 O ATOM 1577 OE2 GLU A 96 -0.408 4.778 6.325 1.00 0.00 O ATOM 0 H GLU A 96 4.489 2.892 7.470 1.00 0.00 H new ATOM 0 HA GLU A 96 1.660 3.203 7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.499 4.563 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.452 3.305 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.046 5.232 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.108 3.759 4.657 1.00 0.00 H new ATOM 1584 N LEU A 97 2.890 0.648 5.885 1.00 0.00 N ATOM 1585 CA LEU A 97 2.543 -0.634 5.281 1.00 0.00 C ATOM 1586 C LEU A 97 1.937 -1.573 6.315 1.00 0.00 C ATOM 1587 O LEU A 97 0.928 -2.223 6.052 1.00 0.00 O ATOM 1588 CB LEU A 97 3.773 -1.284 4.643 1.00 0.00 C ATOM 1589 CG LEU A 97 4.430 -0.478 3.522 1.00 0.00 C ATOM 1590 CD1 LEU A 97 5.603 -1.245 2.933 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.414 -0.139 2.444 1.00 0.00 C ATOM 0 H LEU A 97 3.892 0.827 5.946 1.00 0.00 H new ATOM 0 HA LEU A 97 1.803 -0.447 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.514 -1.463 5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.485 -2.258 4.247 1.00 0.00 H new ATOM 0 HG LEU A 97 4.807 0.455 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.059 -0.657 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.341 -1.435 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.251 -2.194 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.899 0.435 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.006 -1.059 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.607 0.451 2.878 1.00 0.00 H new ATOM 1603 N GLU A 98 2.547 -1.624 7.498 1.00 0.00 N ATOM 1604 CA GLU A 98 2.040 -2.449 8.596 1.00 0.00 C ATOM 1605 C GLU A 98 0.606 -2.049 8.939 1.00 0.00 C ATOM 1606 O GLU A 98 -0.183 -2.864 9.413 1.00 0.00 O ATOM 1607 CB GLU A 98 2.924 -2.300 9.838 1.00 0.00 C ATOM 1608 CG GLU A 98 4.379 -2.688 9.623 1.00 0.00 C ATOM 1609 CD GLU A 98 5.261 -2.348 10.809 1.00 0.00 C ATOM 1610 OE1 GLU A 98 4.922 -1.401 11.557 1.00 0.00 O ATOM 1611 OE2 GLU A 98 6.304 -3.014 10.992 1.00 0.00 O ATOM 0 H GLU A 98 3.395 -1.103 7.722 1.00 0.00 H new ATOM 0 HA GLU A 98 2.057 -3.490 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.883 -1.265 10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.511 -2.914 10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.439 -3.758 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.758 -2.180 8.737 1.00 0.00 H new ATOM 1618 N LYS A 99 0.286 -0.779 8.704 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.065 -0.278 8.906 1.00 0.00 C ATOM 1620 C LYS A 99 -2.003 -0.873 7.859 1.00 0.00 C ATOM 1621 O LYS A 99 -3.079 -1.372 8.187 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.087 1.250 8.809 1.00 0.00 C ATOM 1623 CG LYS A 99 -2.463 1.859 9.023 1.00 0.00 C ATOM 1624 CD LYS A 99 -2.521 3.295 8.531 1.00 0.00 C ATOM 1625 CE LYS A 99 -1.548 4.196 9.275 1.00 0.00 C ATOM 1626 NZ LYS A 99 -1.456 5.536 8.642 1.00 0.00 N ATOM 0 H LYS A 99 0.949 -0.078 8.372 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.400 -0.573 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.399 1.661 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.717 1.548 7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.211 1.264 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.715 1.826 10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.296 3.322 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.534 3.678 8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.869 4.303 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.562 3.732 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.657 6.060 9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.309 5.427 7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.337 6.061 8.811 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.572 -0.826 6.603 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.363 -1.330 5.487 1.00 0.00 C ATOM 1642 C LEU A 100 -2.556 -2.840 5.594 1.00 0.00 C ATOM 1643 O LEU A 100 -3.669 -3.343 5.440 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.683 -0.980 4.161 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.441 -1.410 2.905 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.780 -0.691 2.818 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.603 -1.140 1.663 1.00 0.00 C ATOM 0 H LEU A 100 -0.668 -0.439 6.331 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.344 -0.857 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.532 0.099 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.695 -1.441 4.145 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.633 -2.481 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.306 -1.009 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.381 -0.934 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.613 0.385 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.156 -1.451 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.382 -0.075 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.670 -1.701 1.724 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.469 -3.551 5.867 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.514 -5.003 6.021 1.00 0.00 C ATOM 1661 C ASP A 101 -2.519 -5.396 7.101 1.00 0.00 C ATOM 1662 O ASP A 101 -3.283 -6.350 6.946 1.00 0.00 O ATOM 1663 CB ASP A 101 -0.135 -5.561 6.391 1.00 0.00 C ATOM 1664 CG ASP A 101 0.918 -5.364 5.313 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.579 -5.413 4.115 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.105 -5.183 5.665 1.00 0.00 O ATOM 0 H ASP A 101 -0.541 -3.145 5.987 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.823 -5.425 5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.205 -5.083 7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.230 -6.626 6.603 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.522 -4.641 8.194 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.437 -4.895 9.300 1.00 0.00 C ATOM 1673 C ALA A 102 -4.878 -4.581 8.915 1.00 0.00 C ATOM 1674 O ALA A 102 -5.815 -5.096 9.527 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.029 -4.096 10.528 1.00 0.00 C ATOM 0 H ALA A 102 -1.899 -3.846 8.338 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.379 -5.957 9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.725 -4.300 11.342 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.022 -4.383 10.831 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.048 -3.032 10.292 1.00 0.00 H new ATOM 1681 N LEU A 103 -5.051 -3.747 7.896 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.379 -3.409 7.399 1.00 0.00 C ATOM 1683 C LEU A 103 -6.956 -4.573 6.604 1.00 0.00 C ATOM 1684 O LEU A 103 -8.162 -4.784 6.587 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.345 -2.149 6.528 1.00 0.00 C ATOM 1686 CG LEU A 103 -5.998 -0.850 7.262 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.973 0.322 6.295 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -6.987 -0.590 8.390 1.00 0.00 C ATOM 0 H LEU A 103 -4.287 -3.292 7.397 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.016 -3.209 8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.619 -2.300 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.319 -2.029 6.054 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.004 -0.959 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.725 1.235 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.224 0.142 5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.953 0.431 5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.723 0.337 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.993 -0.505 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.954 -1.416 9.101 1.00 0.00 H new ATOM 1700 N PHE A 104 -6.087 -5.332 5.948 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.523 -6.522 5.224 1.00 0.00 C ATOM 1702 C PHE A 104 -6.846 -7.654 6.191 1.00 0.00 C ATOM 1703 O PHE A 104 -7.536 -8.611 5.843 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.465 -6.956 4.209 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.434 -6.072 2.993 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -4.717 -4.888 2.997 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -6.141 -6.417 1.854 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -4.703 -4.066 1.887 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -6.133 -5.598 0.742 1.00 0.00 C ATOM 1710 CZ PHE A 104 -5.412 -4.422 0.758 1.00 0.00 C ATOM 0 H PHE A 104 -5.085 -5.148 5.901 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.433 -6.275 4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.485 -6.947 4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.661 -7.983 3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.162 -4.603 3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.706 -7.338 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.138 -3.146 1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.691 -5.878 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.402 -3.781 -0.111 1.00 0.00 H new ATOM 1720 N ALA A 105 -6.349 -7.528 7.410 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.673 -8.466 8.471 1.00 0.00 C ATOM 1722 C ALA A 105 -7.759 -7.883 9.369 1.00 0.00 C ATOM 1723 O ALA A 105 -8.025 -8.389 10.462 1.00 0.00 O ATOM 1724 CB ALA A 105 -5.426 -8.795 9.278 1.00 0.00 C ATOM 0 H ALA A 105 -5.715 -6.780 7.690 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.049 -9.389 8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.681 -9.499 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.676 -9.241 8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.026 -7.882 9.719 1.00 0.00 H new ATOM 1730 N ASP A 106 -8.381 -6.809 8.899 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.419 -6.121 9.659 1.00 0.00 C ATOM 1732 C ASP A 106 -10.655 -5.842 8.814 1.00 0.00 C ATOM 1733 O ASP A 106 -10.596 -5.121 7.825 1.00 0.00 O ATOM 1734 CB ASP A 106 -8.886 -4.804 10.228 1.00 0.00 C ATOM 1735 CG ASP A 106 -9.996 -3.876 10.690 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -10.683 -4.198 11.685 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -10.178 -2.806 10.074 1.00 0.00 O ATOM 0 H ASP A 106 -8.183 -6.393 7.989 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.707 -6.784 10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.223 -5.017 11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.288 -4.300 9.469 1.00 0.00 H new ATOM 1742 N ASP A 107 -11.771 -6.425 9.220 1.00 0.00 N ATOM 1743 CA ASP A 107 -13.064 -6.131 8.625 1.00 0.00 C ATOM 1744 C ASP A 107 -14.156 -6.754 9.493 1.00 0.00 C ATOM 1745 O ASP A 107 -13.884 -7.173 10.621 1.00 0.00 O ATOM 1746 CB ASP A 107 -13.140 -6.648 7.180 1.00 0.00 C ATOM 1747 CG ASP A 107 -14.291 -6.031 6.403 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -14.165 -4.875 5.944 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -15.347 -6.684 6.278 1.00 0.00 O ATOM 0 H ASP A 107 -11.806 -7.115 9.971 1.00 0.00 H new ATOM 0 HA ASP A 107 -13.207 -5.051 8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.202 -6.430 6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.252 -7.732 7.190 1.00 0.00 H new ATOM 1754 N ALA A 108 -15.374 -6.818 8.980 1.00 0.00 N ATOM 1755 CA ALA A 108 -16.500 -7.335 9.739 1.00 0.00 C ATOM 1756 C ALA A 108 -16.466 -8.854 9.791 1.00 0.00 C ATOM 1757 O ALA A 108 -16.093 -9.509 8.818 1.00 0.00 O ATOM 1758 CB ALA A 108 -17.807 -6.857 9.128 1.00 0.00 C ATOM 0 H ALA A 108 -15.608 -6.516 8.034 1.00 0.00 H new ATOM 0 HA ALA A 108 -16.428 -6.958 10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -18.644 -7.251 9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -17.838 -5.768 9.141 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -17.878 -7.210 8.099 1.00 0.00 H new ATOM 1764 N SER A 109 -16.846 -9.407 10.929 1.00 0.00 N ATOM 1765 CA SER A 109 -16.886 -10.848 11.099 1.00 0.00 C ATOM 1766 C SER A 109 -18.318 -11.360 10.968 1.00 0.00 C ATOM 1767 O SER A 109 -19.251 -10.793 11.542 1.00 0.00 O ATOM 1768 CB SER A 109 -16.303 -11.233 12.456 1.00 0.00 C ATOM 1769 OG SER A 109 -14.974 -10.754 12.600 1.00 0.00 O ATOM 0 H SER A 109 -17.132 -8.877 11.752 1.00 0.00 H new ATOM 0 HA SER A 109 -16.283 -11.310 10.317 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.927 -10.826 13.251 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.315 -12.317 12.565 1.00 0.00 H new ATOM 0 HG SER A 109 -14.626 -11.013 13.479 1.00 0.00 H new ATOM 1775 N LEU A 110 -18.481 -12.426 10.200 1.00 0.00 N ATOM 1776 CA LEU A 110 -19.795 -13.001 9.953 1.00 0.00 C ATOM 1777 C LEU A 110 -20.246 -13.863 11.130 1.00 0.00 C ATOM 1778 O LEU A 110 -19.453 -14.615 11.706 1.00 0.00 O ATOM 1779 CB LEU A 110 -19.763 -13.840 8.669 1.00 0.00 C ATOM 1780 CG LEU A 110 -21.098 -14.472 8.261 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -22.119 -13.399 7.909 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -20.898 -15.427 7.093 1.00 0.00 C ATOM 0 H LEU A 110 -17.715 -12.913 9.734 1.00 0.00 H new ATOM 0 HA LEU A 110 -20.510 -12.186 9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -19.415 -13.208 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -19.027 -14.635 8.793 1.00 0.00 H new ATOM 0 HG LEU A 110 -21.482 -15.039 9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -23.059 -13.871 7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -22.284 -12.757 8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -21.746 -12.800 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -21.855 -15.868 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -20.489 -14.881 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -20.206 -16.217 7.384 1.00 0.00 H new ATOM 1794 N GLU A 111 -21.512 -13.730 11.497 1.00 0.00 N ATOM 1795 CA GLU A 111 -22.109 -14.576 12.517 1.00 0.00 C ATOM 1796 C GLU A 111 -22.536 -15.903 11.895 1.00 0.00 C ATOM 1797 O GLU A 111 -22.880 -15.963 10.713 1.00 0.00 O ATOM 1798 CB GLU A 111 -23.315 -13.875 13.153 1.00 0.00 C ATOM 1799 CG GLU A 111 -23.992 -14.693 14.239 1.00 0.00 C ATOM 1800 CD GLU A 111 -25.260 -14.048 14.750 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -26.268 -14.055 14.013 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -25.259 -13.535 15.888 1.00 0.00 O ATOM 0 H GLU A 111 -22.149 -13.039 11.100 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.372 -14.767 13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -22.990 -12.924 13.575 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -24.043 -13.646 12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -24.225 -15.684 13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -23.299 -14.831 15.069 1.00 0.00 H new ATOM 1809 N HIS A 112 -22.499 -16.965 12.682 1.00 0.00 N ATOM 1810 CA HIS A 112 -22.868 -18.287 12.198 1.00 0.00 C ATOM 1811 C HIS A 112 -23.884 -18.917 13.138 1.00 0.00 C ATOM 1812 O HIS A 112 -23.617 -19.068 14.330 1.00 0.00 O ATOM 1813 CB HIS A 112 -21.635 -19.191 12.097 1.00 0.00 C ATOM 1814 CG HIS A 112 -20.530 -18.627 11.254 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -19.438 -17.979 11.788 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -20.345 -18.627 9.913 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -18.630 -17.607 10.815 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -19.155 -17.988 9.666 1.00 0.00 N ATOM 0 H HIS A 112 -22.217 -16.938 13.662 1.00 0.00 H new ATOM 0 HA HIS A 112 -23.306 -18.179 11.206 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -21.252 -19.379 13.100 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -21.937 -20.154 11.685 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -21.010 -19.051 9.175 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -17.696 -17.079 10.938 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -18.744 -17.833 8.745 1.00 0.00 H new ATOM 1827 N HIS A 113 -25.047 -19.271 12.608 1.00 0.00 N ATOM 1828 CA HIS A 113 -26.089 -19.898 13.415 1.00 0.00 C ATOM 1829 C HIS A 113 -25.680 -21.323 13.756 1.00 0.00 C ATOM 1830 O HIS A 113 -25.459 -21.663 14.921 1.00 0.00 O ATOM 1831 CB HIS A 113 -27.430 -19.908 12.675 1.00 0.00 C ATOM 1832 CG HIS A 113 -27.916 -18.548 12.272 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -28.193 -17.549 13.178 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -28.171 -18.024 11.052 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -28.596 -16.472 12.535 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -28.593 -16.733 11.243 1.00 0.00 N ATOM 0 H HIS A 113 -25.294 -19.136 11.627 1.00 0.00 H new ATOM 0 HA HIS A 113 -26.210 -19.319 14.330 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -27.336 -20.528 11.783 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -28.181 -20.377 13.311 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -28.063 -18.528 10.103 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -28.881 -15.534 12.989 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -28.861 -16.081 10.506 1.00 0.00 H new ATOM 1845 N HIS A 114 -25.573 -22.150 12.730 1.00 0.00 N ATOM 1846 CA HIS A 114 -25.060 -23.498 12.881 1.00 0.00 C ATOM 1847 C HIS A 114 -23.742 -23.604 12.144 1.00 0.00 C ATOM 1848 O HIS A 114 -23.662 -23.290 10.957 1.00 0.00 O ATOM 1849 CB HIS A 114 -26.052 -24.540 12.353 1.00 0.00 C ATOM 1850 CG HIS A 114 -27.324 -24.607 13.139 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -27.450 -25.323 14.308 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -28.527 -24.027 12.926 1.00 0.00 C ATOM 1853 CE1 HIS A 114 -28.673 -25.182 14.778 1.00 0.00 C ATOM 1854 NE2 HIS A 114 -29.349 -24.399 13.959 1.00 0.00 N ATOM 0 H HIS A 114 -25.838 -21.907 11.775 1.00 0.00 H new ATOM 0 HA HIS A 114 -24.912 -23.702 13.942 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -26.288 -24.311 11.314 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -25.576 -25.521 12.363 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -28.792 -23.389 12.096 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -29.057 -25.632 15.682 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -30.322 -24.117 14.075 1.00 0.00 H new ATOM 1863 N HIS A 115 -22.707 -24.023 12.851 1.00 0.00 N ATOM 1864 CA HIS A 115 -21.377 -24.092 12.266 1.00 0.00 C ATOM 1865 C HIS A 115 -21.274 -25.265 11.297 1.00 0.00 C ATOM 1866 O HIS A 115 -20.373 -25.311 10.456 1.00 0.00 O ATOM 1867 CB HIS A 115 -20.301 -24.168 13.354 1.00 0.00 C ATOM 1868 CG HIS A 115 -20.132 -22.883 14.108 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -18.962 -22.155 14.109 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -20.997 -22.195 14.892 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -19.117 -21.080 14.858 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -20.342 -21.080 15.345 1.00 0.00 N ATOM 0 H HIS A 115 -22.760 -24.319 13.826 1.00 0.00 H new ATOM 0 HA HIS A 115 -21.206 -23.176 11.700 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.558 -24.962 14.055 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.350 -24.441 12.897 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -22.015 -22.474 15.118 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -18.366 -20.326 15.041 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -20.737 -20.367 15.958 1.00 0.00 H new ATOM 1881 N HIS A 116 -22.202 -26.208 11.416 1.00 0.00 N ATOM 1882 CA HIS A 116 -22.351 -27.255 10.417 1.00 0.00 C ATOM 1883 C HIS A 116 -23.288 -26.773 9.320 1.00 0.00 C ATOM 1884 O HIS A 116 -24.498 -27.021 9.360 1.00 0.00 O ATOM 1885 CB HIS A 116 -22.888 -28.556 11.026 1.00 0.00 C ATOM 1886 CG HIS A 116 -21.908 -29.275 11.897 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -20.629 -29.589 11.494 1.00 0.00 N ATOM 1888 CD2 HIS A 116 -22.029 -29.750 13.158 1.00 0.00 C ATOM 1889 CE1 HIS A 116 -20.006 -30.226 12.466 1.00 0.00 C ATOM 1890 NE2 HIS A 116 -20.833 -30.338 13.488 1.00 0.00 N ATOM 0 H HIS A 116 -22.860 -26.267 12.193 1.00 0.00 H new ATOM 0 HA HIS A 116 -21.366 -27.470 10.003 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -23.779 -28.329 11.611 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -23.197 -29.221 10.220 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -22.904 -29.680 13.788 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -18.991 -30.594 12.431 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -20.619 -30.788 14.378 1.00 0.00 H new ATOM 1899 N HIS A 117 -22.732 -26.051 8.365 1.00 0.00 N ATOM 1900 CA HIS A 117 -23.516 -25.465 7.294 1.00 0.00 C ATOM 1901 C HIS A 117 -22.738 -25.531 5.990 1.00 0.00 C ATOM 1902 O HIS A 117 -22.027 -24.560 5.671 1.00 0.00 O ATOM 1903 CB HIS A 117 -23.867 -24.014 7.638 1.00 0.00 C ATOM 1904 CG HIS A 117 -24.821 -23.374 6.677 1.00 0.00 C ATOM 1905 ND1 HIS A 117 -26.186 -23.475 6.805 1.00 0.00 N ATOM 1906 CD2 HIS A 117 -24.602 -22.618 5.577 1.00 0.00 C ATOM 1907 CE1 HIS A 117 -26.768 -22.810 5.828 1.00 0.00 C ATOM 1908 NE2 HIS A 117 -25.830 -22.279 5.066 1.00 0.00 N ATOM 1909 OXT HIS A 117 -22.811 -26.571 5.308 1.00 0.00 O ATOM 0 H HIS A 117 -21.732 -25.855 8.309 1.00 0.00 H new ATOM 0 HA HIS A 117 -24.442 -26.027 7.176 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -24.299 -23.983 8.638 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -22.949 -23.426 7.669 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -23.640 -22.334 5.176 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -27.833 -22.715 5.676 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -25.991 -21.711 4.235 1.00 0.00 H new TER 1918 HIS A 117